[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C22H18FN3O7S MolecularWeight: 487.457623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O7S/c1-14-18(7-4-8-20(14)26(29)30)24-21(27)13-33-22(28)17-5-2-3-6-19(17)25-34(31,32)16-11-9-15(23)10-12-16/h2-12,25H,13H2,1H3,(H,24,27)