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

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

Click to see the large picture

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=CC=CS5

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=CC=CS5

InChI

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