[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H18BrFN2O5S MolecularWeight: 521.356123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C22H18BrFN2O5S/c1-14-11-18(9-10-20(14)23)25-21(27)13-31-22(28)15-3-2-4-19(12-15)32(29,30)26-17-7-5-16(24)6-8-17/h2-12,26H,13H2,1H3,(H,25,27)