[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C23H20FN3O7S MolecularWeight: 501.484203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20FN3O7S/c1-14-12-17(24)8-11-21(14)35(32,33)26-18-9-6-16(7-10-18)23(29)34-15(2)22(28)25-19-4-3-5-20(13-19)27(30)31/h3-13,15,26H,1-2H3,(H,25,28)