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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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