[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24FN3O7S MolecularWeight: 481.494563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O7S/c1-13(2)10-18(24-33(30,31)16-7-4-14(3)5-8-16)21(27)32-12-20(26)23-15-6-9-17(22)19(11-15)25(28)29/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,23,26)