2732 -OEChem-08311815003D 33 35 0 1 0 0 0 0 0999 V2000 -4.7187 -1.0015 0.6077 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 1.6618 -0.2592 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -2.5910 -0.3098 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 0.8709 -2.6267 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 2.4665 -1.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5087 1.4301 -0.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 -0.7674 -1.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9475 2.2905 1.3209 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -1.2617 -0.4270 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0393 -0.3736 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -1.1824 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8035 0.5160 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5328 0.2649 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 0.0345 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1225 -0.3512 1.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -2.3264 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 0.1068 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 1.4472 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 0.5829 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -2.2540 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 -1.0374 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4746 1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 -1.1521 -2.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 0.9244 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 -1.0369 2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 -3.2892 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 2.1309 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -2.8837 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8851 -3.1550 0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0553 0.6208 3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3873 2.1906 2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 3.0659 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 2.3564 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 13 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 22 31 1 0 0 0 0 M END > DB00310 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JIVPVXMEBJLZRO-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12 > InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) > JIVPVXMEBJLZRO-UHFFFAOYSA-N > C14H11ClN2O4S > 338.766 > 338.012805247 > 4 > 33 > 31.2935952440563 > 1 > 3 > 0 > 1 > 2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzene-1-sulfonamide > 1.27 > 1.6034210690000001 > -3.81 > 0 > 3 > 0 > 9.37161790987332 > 8.761804717435925 > -2.5879178440175767 > 109.49 > 81.30050000000001 > 2 > 1 > 5.28e-02 g/l > chlorthalidone > 0 $$$$