[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] (2R)-1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-tosylpipecolinic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22FN3O7S MolecularWeight: 479.478683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O7S/c1-14-5-8-16(9-6-14)33(30,31)24-11-3-2-4-18(24)21(27)32-13-20(26)23-15-7-10-17(22)19(12-15)25(28)29/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,26)/t18-/m1/s1