[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H22FN3O7S MolecularWeight: 479.478683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O7S/c1-14-12-17(25(28)29)4-7-19(14)23-20(26)13-32-21(27)15-8-10-24(11-9-15)33(30,31)18-5-2-16(22)3-6-18/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)