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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19ClFN3O7S MolecularWeight: 499.897163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19ClFN3O7S/c21-17-11-15(25(28)29)3-6-18(17)23-19(26)12-32-20(27)13-7-9-24(10-8-13)33(30,31)16-4-1-14(22)2-5-16/h1-6,11,13H,7-10,12H2,(H,23,26)