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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=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=C(C=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)24-17-9-11-19(12-10-17)26(29)30)33-22(28)15-3-2-4-20(13-15)34(31,32)25-18-7-5-16(23)6-8-18/h2-14,25H,1H3,(H,24,27)