[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C22H23FN2O6S MolecularWeight: 462.491223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O6S/c1-15(26)19-4-2-3-5-20(19)24-21(27)14-31-22(28)16-10-12-25(13-11-16)32(29,30)18-8-6-17(23)7-9-18/h2-9,16H,10-14H2,1H3,(H,24,27)