1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1,4-bis[(4-methoxyphenyl)sulfonyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H24N2O8S2 MolecularWeight: 532.58596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C24H24N2O8S2/c1-33-18-7-11-20(12-8-18)35(29,30)25-15-17-5-3-4-6-22(17)26(16-23(25)24(27)28)36(31,32)21-13-9-19(34-2)10-14-21/h3-14,23H,15-16H2,1-2H3,(H,27,28)