[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C22H23F2NO5S MolecularWeight: 451.483526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H23F2NO5S/c23-19-10-7-17(14-20(19)24)21(26)15-30-22(27)11-6-16-4-8-18(9-5-16)31(28,29)25-12-2-1-3-13-25/h4-5,7-10,14H,1-3,6,11-13,15H2