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

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)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)C(=O)COC(=O)C3=CC(=C(C=C3Cl)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3Cl)F)F

InChI

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