[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H21F2NO6S MolecularWeight: 453.456346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C21H21F2NO6S/c1-29-20-9-4-14(11-18(20)23)19(25)13-30-21(26)15-3-2-10-24(12-15)31(27,28)17-7-5-16(22)6-8-17/h4-9,11,15H,2-3,10,12-13H2,1H3