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

Systemtic Name: methyl 1-(2-chloranyl-4-fluoranyl-phenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(2-chloro-4-fluoro-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(2-chloro-4-fluorophenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-4-fluorobenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(2-chloro-4-fluoro-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C25H22ClFN2O6S MolecularWeight: 532.968383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClFN2O6S/c1-34-18-8-10-19(11-9-18)36(32,33)29-14-16-5-3-4-6-22(16)28(15-23(29)25(31)35-2)24(30)20-12-7-17(27)13-21(20)26/h3-13,23H,14-15H2,1-2H3