methyl 1-[2,5-bis(chloranyl)phenyl]carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-[2,5-bis(chloranyl)phenyl]carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2,5-dichlorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2,5-dichlorophenyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,5-dichlorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2,5-dichlorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C24H20Cl2N2O6S MolecularWeight: 535.3964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C24H20Cl2N2O6S/c1-34-24(31)22-14-27(23(30)19-12-16(25)6-11-20(19)26)21-5-3-2-4-15(21)13-28(22)35(32,33)18-9-7-17(29)8-10-18/h2-12,22,29H,13-14H2,1H3