5729339 -OEChem-12142311593D 34 36 0 0 0 0 0 0 0999 V2000 -5.4073 1.1680 -0.0769 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 1.3501 -0.0317 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 -0.9801 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 2.4908 -0.6426 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4222 0.2976 -0.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0837 -0.4290 0.0655 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7109 1.3286 1.5969 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2846 1.7463 0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 3.7216 -0.0524 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 -1.0589 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.7669 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 0.3106 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 -1.7691 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 0.3359 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8719 -1.0842 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 1.0206 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9727 -1.8199 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 -3.0944 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 -3.1310 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3038 -1.3432 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 -0.0373 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 0.3695 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 2.3746 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 -2.8557 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 0.9257 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -1.6571 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 2.1069 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5267 -3.9436 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -4.0104 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -2.1092 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6241 2.2655 2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4698 0.7656 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 4.3728 -0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 4.1130 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 6 22 2 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 22 1 0 0 0 0 8 23 2 0 0 0 0 9 23 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 18 2 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 M END > DB07534 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BKUMVXIXUVYKDQ-GHXNOFRVSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O > InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7- > BKUMVXIXUVYKDQ-GHXNOFRVSA-N > C14H11N3O4S2 > 349.385 > 349.019097235 > 4 > 34 > 0.9682468176279626 > 34.078301638475246 > 1 > 3 > 0 > 1 > 4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide > 1.0961243876666669 > 0 > 0 > 3 > 0 > 10.911448176649337 > 9.973782776221523 > 1.480297823179567 > 126.25 > 98.25550000000003 > 3 > 1 > 4-(5-{[(5Z)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide > 0 $$$$