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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C20H19F2NO5S MolecularWeight: 423.430366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2NO5S/c21-17-8-7-14(12-18(17)22)19(24)13-28-20(25)15-5-4-6-16(11-15)29(26,27)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13H2