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

Systemtic Name: 1-(3-fluoranyl-2-methyl-phenyl)carbonyl-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(3-fluoro-2-methyl-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-[(3-fluoro-2-methylphenyl)-oxomethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(3-fluoro-2-methylbenzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(3-fluoro-2-methyl-benzoyl)-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H23FN2O6S MolecularWeight: 498.523323

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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)O

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)O

InChI

InChI=1S/C25H23FN2O6S/c1-16-20(7-5-8-21(16)26)24(29)27-15-23(25(30)31)28(14-17-6-3-4-9-22(17)27)35(32,33)19-12-10-18(34-2)11-13-19/h3-13,23H,14-15H2,1-2H3,(H,30,31)