[3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-(trifluoromethyloxy)benzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-(trifluoromethoxy)benzenesulfonate CAS Name: 4-(trifluoromethoxy)benzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-(trifluoromethoxy)benzenesulfonate Traditional Name: 4-(trifluoromethoxy)benzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C20H20F3NO5S MolecularWeight: 443.43671

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H20F3NO5S/c1-24-11-9-14(10-12-24)19(25)15-3-2-4-17(13-15)29-30(26,27)18-7-5-16(6-8-18)28-20(21,22)23/h2-8,13-14H,9-12H2,1H3