4-(4-methoxyphenyl)sulfonyl-1-(2-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo-(2-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C30H26N2O6S MolecularWeight: 542.60224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O6S/c1-38-23-15-17-24(18-16-23)39(36,37)32-19-22-11-5-8-14-27(22)31(20-28(32)30(34)35)29(33)26-13-7-6-12-25(26)21-9-3-2-4-10-21/h2-18,28H,19-20H2,1H3,(H,34,35)