[3-[1-(2-phenylpropyl)piperidin-4-yl]carbonylphenyl] 3-fluoranylbenzenesulfonate

Systemtic Name: [3-[1-(2-phenylpropyl)piperidin-4-yl]carbonylphenyl] 3-fluoranylbenzenesulfonate Openeye Name: [3-[1-(2-phenylpropyl)piperidine-4-carbonyl]phenyl] 3-fluorobenzenesulfonate CAS Name: 3-fluorobenzenesulfonic acid [3-[oxo-[1-(2-phenylpropyl)-4-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[1-(2-phenylpropyl)piperidine-4-carbonyl]phenyl] 3-fluorobenzenesulfonate Traditional Name: 3-fluorobenzenesulfonic acid [3-[1-(2-phenylpropyl)isonipecotoyl]phenyl] ester Formula: C27H28FNO4S MolecularWeight: 481.578923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(CN1CCC(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H28FNO4S/c1-20(21-7-3-2-4-8-21)19-29-15-13-22(14-16-29)27(30)23-9-5-11-25(17-23)33-34(31,32)26-12-6-10-24(28)18-26/h2-12,17-18,20,22H,13-16,19H2,1H3