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

Systemtic Name: methyl 1-(3-fluoranyl-2-methyl-phenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(3-fluoro-2-methyl-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(3-fluoro-2-methylphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-fluoro-2-methylbenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(3-fluoro-2-methyl-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H25FN2O6S MolecularWeight: 512.549903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1F)C(=O)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C26H25FN2O6S/c1-17-21(8-6-9-22(17)27)25(30)28-16-24(26(31)35-3)29(15-18-7-4-5-10-23(18)28)36(32,33)20-13-11-19(34-2)12-14-20/h4-14,24H,15-16H2,1-3H3