2-(4-methoxyphenyl)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid 2-(4-methoxyphenyl)ethyl ester Formula: C21H23F2NO5S MolecularWeight: 439.472826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H23F2NO5S/c1-28-17-4-2-15(3-5-17)10-13-29-21(25)16-8-11-24(12-9-16)30(26,27)18-6-7-19(22)20(23)14-18/h2-7,14,16H,8-13H2,1H3