[3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-fluoranylbenzenesulfonate hydrochloride

Systemtic Name: [3-(1-methylpiperidin-4-yl)carbonylphenyl] 4-fluoranylbenzenesulfonate hydrochloride Openeye Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-fluorobenzenesulfonate hydrochloride CAS Name: 4-fluorobenzenesulfonic acid [3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl] ester hydrochloride IUPAC Name: [3-(1-methylpiperidine-4-carbonyl)phenyl] 4-fluorobenzenesulfonate hydrochloride Traditional Name: 4-fluorobenzenesulfonic acid [3-(1-methylisonipecotoyl)phenyl] ester hydrochloride Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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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)F.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO4S.ClH/c1-21-11-9-14(10-12-21)19(22)15-3-2-4-17(13-15)25-26(23,24)18-7-5-16(20)6-8-18;/h2-8,13-14H,9-12H2,1H3;1H