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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-thiophen-3-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(3-thienyl)benzoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[oxo-[4-(3-thiophenyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(4-thiophen-3-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(3-thienyl)benzoyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H24N2O6S2 MolecularWeight: 548.62996

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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=C(C=C4)C5=CSC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O6S2/c1-36-23-10-12-24(13-11-23)38(34,35)30-16-21-4-2-3-5-25(21)29(17-26(30)28(32)33)27(31)20-8-6-19(7-9-20)22-14-15-37-18-22/h2-15,18,26H,16-17H2,1H3,(H,32,33)