methyl 1-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-chloro-6-fluoro-benzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2-chloro-6-fluorophenyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-6-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-chloro-6-fluoro-benzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C24H20ClFN2O6S MolecularWeight: 518.941803

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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=C4Cl)F

Isomeric SMILES

COC(=O)C1CN(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)O)C(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H20ClFN2O6S/c1-34-24(31)21-14-27(23(30)22-18(25)6-4-7-19(22)26)20-8-3-2-5-15(20)13-28(21)35(32,33)17-11-9-16(29)10-12-17/h2-12,21,29H,13-14H2,1H3