17414308 -OEChem-10051720563D 38 39 0 1 0 0 0 0 0999 V2000 7.6172 -0.6813 0.1697 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 1.7497 0.1414 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5181 -0.9363 0.1266 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0914 2.9714 -0.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 1.8159 1.5223 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8717 -1.2712 1.4988 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4154 -0.1118 -0.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 0.5994 -0.7139 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.1956 -2.3803 -0.7279 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6107 -0.6020 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 0.9961 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -0.6218 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 0.2770 -2.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 1.2563 -0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7859 0.1416 1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 -0.1924 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5673 0.6620 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0479 -0.4527 1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 -1.2597 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.0023 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 -1.2780 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 -0.0209 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -0.6586 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 -0.6185 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 -1.5202 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 1.1817 -2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 -0.4567 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 -0.1249 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 1.9136 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -0.0793 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 0.8726 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 -1.1206 1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -1.7504 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 0.4978 1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7592 -1.7798 -1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 0.4659 1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5732 -2.4656 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2029 -3.2600 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 M END > DB07115 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IPPUTOHDQOYDIL-UHFFFAOYSA-N/SDF?record_type=3d > CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O > InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19) > IPPUTOHDQOYDIL-UHFFFAOYSA-N > C14H15ClN2O4S2 > 374.863 > 374.016176065 > 4 > 38 > -0.0020126112847001793 > 35.59893632153243 > 1 > 1 > 0 > 1 > N1-[(4-chlorophenyl)methyl]-N1-methylbenzene-1,4-disulfonamide > 2.15 > 1.961177280333333 > -3.93 > 0 > 0 > 2 > 0 > 9.695365149818006 > 97.54 > 89.5846 > 4 > 1 > 4.36e-02 g/l > tetrahydrofolic acid > 0 $$$$