[3-[1-(phenylmethyl)piperidin-4-yl]carbonylphenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[1-(phenylmethyl)piperidin-4-yl]carbonylphenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-(1-benzylpiperidine-4-carbonyl)phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[oxo-[1-(phenylmethyl)-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-(1-benzylpiperidine-4-carbonyl)phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-(1-benzylisonipecotoyl)phenyl] ester Formula: C25H24FNO4S MolecularWeight: 453.525763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C25H24FNO4S/c26-22-9-11-24(12-10-22)32(29,30)31-23-8-4-7-21(17-23)25(28)20-13-15-27(16-14-20)18-19-5-2-1-3-6-19/h1-12,17,20H,13-16,18H2