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

Systemtic Name: 1-(4-chloranyl-2-methoxy-phenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(4-chloro-2-methoxy-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-[(4-chloro-2-methoxyphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(4-chloro-2-methoxybenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(4-chloro-2-methoxy-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H23ClN2O7S MolecularWeight: 530.97732

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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=C(C=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)OC

InChI

InChI=1S/C25H23ClN2O7S/c1-34-18-8-10-19(11-9-18)36(32,33)28-14-16-5-3-4-6-21(16)27(15-22(28)25(30)31)24(29)20-12-7-17(26)13-23(20)35-2/h3-13,22H,14-15H2,1-2H3,(H,30,31)