657106 -OEChem-03271813443D 31 32 0 0 0 0 0 0 0999 V2000 1.4407 1.6028 -0.5735 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 -2.2121 -0.7651 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 1.9071 -1.7442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 2.3790 -0.2557 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -1.1373 1.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 -0.8271 1.2554 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 0.5074 1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 0.1725 -0.6967 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1371 -1.8296 0.2636 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 1.4791 0.8078 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -0.0109 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 0.9175 0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 -0.6643 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -0.7298 -2.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1819 -0.3782 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8664 1.6789 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4522 -0.9124 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -0.1510 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 -1.9649 -2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1368 1.1448 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -0.2634 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7541 -0.7082 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 1.2036 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -0.4001 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6563 2.6941 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6679 -1.9238 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 -2.7343 -2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 1.7740 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -0.6622 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 -0.5385 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4696 -0.2056 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 21 1 0 0 0 0 6 30 1 0 0 0 0 7 21 2 0 0 0 0 8 22 1 0 0 0 0 8 31 1 0 0 0 0 9 22 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 21 1 0 0 0 0 14 19 2 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > DB07927 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RDPXXOOKKRIKFN-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=C(O)C=C(C=C1)C(O)=O > InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18) > RDPXXOOKKRIKFN-UHFFFAOYSA-N > C12H9NO7S2 > 343.332 > 342.982043027 > 7 > 31 > 30.734747584941122 > 1 > 4 > 0 > 1 > 3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid > 1.67 > 2.0353929673333333 > -3.26 > 0 > 2 > -3 > 4.2942345748271835 > 3.035327427363702 > -6.173644839430371 > 141.0 > 76.2734 > 4 > 1 > 1.87e-01 g/l > 3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid > 0 $$$$