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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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