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

Systemtic Name: [3-(1-propylpiperidin-4-yl)carbonylphenyl] 3-(trifluoromethyloxy)benzenesulfonate Openeye Name: [3-(1-propylpiperidine-4-carbonyl)phenyl] 3-(trifluoromethoxy)benzenesulfonate CAS Name: 3-(trifluoromethoxy)benzenesulfonic acid [3-[oxo-(1-propyl-4-piperidinyl)methyl]phenyl] ester IUPAC Name: [3-(1-propylpiperidine-4-carbonyl)phenyl] 3-(trifluoromethoxy)benzenesulfonate Traditional Name: 3-(trifluoromethoxy)benzenesulfonic acid [3-(1-propylisonipecotoyl)phenyl] ester Formula: C22H24F3NO5S MolecularWeight: 471.48987

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

CCCN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

InChI=1S/C22H24F3NO5S/c1-2-11-26-12-9-16(10-13-26)21(27)17-5-3-7-19(14-17)31-32(28,29)20-8-4-6-18(15-20)30-22(23,24)25/h3-8,14-16H,2,9-13H2,1H3