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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C20H18F3NO5S MolecularWeight: 441.42083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO5S/c21-15-6-4-13(10-17(15)23)18(25)12-29-20(26)14-5-7-16(22)19(11-14)30(27,28)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2