[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-fluorophenyl)sulfamoyl]benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O7S/c1-14(21(27)24-18-5-3-6-19(13-18)26(29)30)33-22(28)15-4-2-7-20(12-15)34(31,32)25-17-10-8-16(23)9-11-17/h2-14,25H,1H3,(H,24,27)