[5-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)piperidin-1-yl]-2-chloranyl-4-fluoranyl-phenyl] benzenesulfonate

Systemtic Name: [5-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)piperidin-1-yl]-2-chloranyl-4-fluoranyl-phenyl] benzenesulfonate Openeye Name: [2-chloro-5-[2,6-dioxo-4-(trifluoromethyl)-1-piperidyl]-4-fluoro-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-chloro-5-[2,6-dioxo-4-(trifluoromethyl)-1-piperidinyl]-4-fluorophenyl] ester IUPAC Name: [2-chloro-5-[2,6-dioxo-4-(trifluoromethyl)piperidin-1-yl]-4-fluorophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-chloro-5-[2,6-diketo-4-(trifluoromethyl)piperidino]-4-fluoro-phenyl] ester Formula: C18H12ClF4NO5S MolecularWeight: 465.803193

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1C(CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H12ClF4NO5S/c19-12-8-13(20)14(24-16(25)6-10(7-17(24)26)18(21,22)23)9-15(12)29-30(27,28)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2