11609955 -OEChem-10051722453D 43 44 0 0 0 0 0 0 0999 V2000 0.8751 2.6279 -0.4352 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0495 3.7168 0.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 2.8530 -1.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6195 -1.6461 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 -2.4811 0.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5774 1.8696 0.1151 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -2.8019 -0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -1.7004 0.6818 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 1.4365 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1394 -0.4551 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 -1.4814 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 0.5481 -1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 1.3742 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4377 -0.4024 -1.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 0.4236 1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3776 1.1693 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 1.9349 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4113 0.7331 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 1.2173 1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -3.2638 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9087 -3.7599 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 -0.0519 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5518 -0.5191 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -1.3414 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -1.1343 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.5305 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 0.5759 -2.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 2.0532 1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6606 -1.0760 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 0.3850 2.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1845 1.0135 -1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4639 2.4530 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 1.0677 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 -2.6552 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -3.2955 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 -4.2769 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -4.7373 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2209 -3.8931 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7779 -3.4322 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -0.3118 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6364 -0.3014 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5866 -1.5092 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7727 -3.0896 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 43 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 24 1 0 0 0 0 8 42 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 M END > DB12392 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FECGNJPYVFEKOD-VMPITWQZSA-N/SDF?record_type=3d > CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=C1 > InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ > FECGNJPYVFEKOD-VMPITWQZSA-N > C16H19N3O4S > 349.41 > 349.109627278 > 5 > 43 > 36.51996809448358 > 1 > 2 > 0 > 1 > (2E)-3-(1-{4-[(dimethylamino)methyl]benzenesulfonyl}-1H-pyrrol-3-yl)-N-hydroxyprop-2-enamide > 1.10 > 1.0976245550634998 > -3.29 > 0 > 2 > 1 > 14.086332590428896 > 9.572839675923333 > 8.239928781281927 > 91.64 > 92.96849999999999 > 5 > 1 > 1.80e-01 g/l > (2E)-3-(1-{4-[(dimethylamino)methyl]benzenesulfonyl}pyrrol-3-yl)-N-hydroxyprop-2-enamide > 0 $$$$