[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C20H18ClF2NO5S MolecularWeight: 457.875426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClF2NO5S/c21-16-6-5-14(30(27,28)24-8-2-1-3-9-24)11-15(16)20(26)29-12-19(25)13-4-7-17(22)18(23)10-13/h4-7,10-11H,1-3,8-9,12H2