methyl 1-(3-fluorophenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 1-(3-fluorophenyl)carbonyl-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 1-(3-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 1-[(3-fluorophenyl)-oxomethyl]-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 1-(3-fluorobenzoyl)-4-(4-hydroxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C24H21FN2O6S MolecularWeight: 484.496743

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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=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O6S/c1-33-24(30)22-15-26(23(29)16-6-4-7-18(25)13-16)21-8-3-2-5-17(21)14-27(22)34(31,32)20-11-9-19(28)10-12-20/h2-13,22,28H,14-15H2,1H3