[3-(1-methylpiperidin-4-yl)carbonylphenyl] 2,3,5-tris(fluoranyl)benzenesulfonate

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 2,3,5-tris(fluoranyl)benzenesulfonate Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 2,3,5-trifluorobenzenesulfonate CAS Name: 2,3,5-trifluorobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 2,3,5-trifluorobenzenesulfonate Traditional Name: 2,3,5-trifluorobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester Formula: C19H18F3NO4S MolecularWeight: 413.41073

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC(=CC(=C3F)F)F

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC(=CC(=C3F)F)F

InChI

InChI=1S/C19H18F3NO4S/c1-23-7-5-12(6-8-23)19(24)13-3-2-4-15(9-13)27-28(25,26)17-11-14(20)10-16(21)18(17)22/h2-4,9-12H,5-8H2,1H3