446276 -OEChem-10311711513D 47 49 0 1 0 0 0 0 0999 V2000 -5.8622 1.2788 -0.5215 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 -2.2753 1.8963 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8673 1.5692 -1.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0138 0.6287 0.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5907 -0.2710 -0.8295 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -2.2854 -0.3486 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5297 2.7202 0.3335 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 -2.2398 0.0383 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4597 -1.1668 -1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -3.0755 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 0.9050 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 -3.1347 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 1.4443 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8485 -0.5064 -1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6413 0.5431 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4654 1.5335 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0574 2.6707 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 -1.9450 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 2.7492 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9957 3.3109 1.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -1.1455 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -1.2396 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 -0.3345 -0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 0.3388 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4163 -0.4890 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 0.4161 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 -1.7241 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.6388 -2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 -0.5371 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 -3.7923 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 -3.6519 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3938 -2.5771 0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 -3.5900 -0.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -3.9441 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -1.3881 -1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6959 0.6501 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -2.0391 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 1.1029 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 3.1198 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 3.2629 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 4.2571 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -1.8821 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 -0.2176 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2739 -0.5604 1.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 1.0655 -1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3019 3.5583 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0843 2.9134 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 24 1 0 0 0 0 2 18 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 42 1 0 0 0 0 23 26 2 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END > DB02479 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZFWHOUCRVSOZJE-CQSZACIVSA-N/SDF?record_type=3d > [H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@@H](C)CN1C=CC2=CC=CC=C12 > InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m1/s1 > ZFWHOUCRVSOZJE-CQSZACIVSA-N > C19H21N3O3S > 371.453 > 371.130362243 > 3 > 47 > 39.42239370595096 > 1 > 2 > 0 > 1 > N-[(2R)-2-[(1H-indol-1-yl)methyl]propyl]-4-sulfamoylbenzamide > 2.71 > 2.317035175333333 > -3.96 > 1 > 3 > 0 > 14.46972880386592 > 9.950985580016333 > -0.909287253516255 > 94.19 > 101.54500000000003 > 6 > 1 > 4.11e-02 g/l > N-[(2R)-2-(indol-1-ylmethyl)propyl]-4-sulfamoylbenzamide > 0 $$$$