688424 -OEChem-02232017533D 33 35 0 1 0 0 0 0 0999 V2000 -4.7185 -1.0023 0.6084 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 1.6616 -0.2580 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 -2.5903 -0.3132 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0445 0.8743 -2.6261 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 2.4665 -1.1674 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5095 1.4292 -0.5374 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -0.7648 -1.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9482 2.2907 1.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2245 -1.2608 -0.4285 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0397 -0.3742 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2701 -1.1818 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 0.5165 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 0.2672 -1.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 0.0351 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -0.3536 1.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9779 -2.3264 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 0.1070 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 1.4467 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 0.5796 2.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 -2.2545 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0191 -1.0378 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 1.4721 1.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2399 -1.1482 -2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 0.9253 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -1.0400 2.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 -3.2892 0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 2.1311 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 -2.8819 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8846 -3.1560 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 0.6162 3.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 2.1874 2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 3.0664 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 2.3562 1.8943 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 > DB08046 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JIVPVXMEBJLZRO-AWEZNQCLSA-N/SDF?record_type=3d > NS(=O)(=O)C1=C(Cl)C=CC(=C1)[C@@]1(O)NC(=O)C2=C1C=CC=C2 > 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)/t14-/m0/s1 > JIVPVXMEBJLZRO-AWEZNQCLSA-N > C14H11ClN2O4S > 338.766 > 338.012805247 > 4 > 33 > -0.024791313530943063 > 30.884002613133777 > 1 > 3 > 0 > 1 > 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene-1-sulfonamide > 1.27 > 1.6034210690000001 > -3.81 > 0 > 0 > 3 > 0 > 9.37161790987332 > 8.761804717435925 > -2.5879178440175767 > 109.49000000000001 > 81.30050000000001 > 2 > 1 > 5.28e-02 g/l > 2-methoxy-4-vinyl-phenol > 0 $$$$