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

Systemtic Name: 8-chloranyl-4-(4-methoxyphenyl)sulfonyl-1-(2-morpholin-4-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 8-chloro-4-(4-methoxyphenyl)sulfonyl-1-(2-morpholinobenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 8-chloro-4-(4-methoxyphenyl)sulfonyl-1-[[2-(4-morpholinyl)phenyl]-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 8-chloro-4-(4-methoxyphenyl)sulfonyl-1-(2-morpholin-4-ylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 8-chloro-4-(4-methoxyphenyl)sulfonyl-1-(2-morpholinobenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C28H28ClN3O7S MolecularWeight: 586.05582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C=C3)Cl)N(CC2C(=O)O)C(=O)C4=CC=CC=C4N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=C(C=C3)Cl)N(CC2C(=O)O)C(=O)C4=CC=CC=C4N5CCOCC5

InChI

InChI=1S/C28H28ClN3O7S/c1-38-21-8-10-22(11-9-21)40(36,37)32-17-19-6-7-20(29)16-25(19)31(18-26(32)28(34)35)27(33)23-4-2-3-5-24(23)30-12-14-39-15-13-30/h2-11,16,26H,12-15,17-18H2,1H3,(H,34,35)