[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C22H23FN2O7S MolecularWeight: 478.490623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O7S/c1-31-21(27)15-4-8-18(9-5-15)24-20(26)14-32-22(28)16-3-2-12-25(13-16)33(29,30)19-10-6-17(23)7-11-19/h4-11,16H,2-3,12-14H2,1H3,(H,24,26)