[(3S,4R)-4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]methyl benzenesulfonate

Systemtic Name: [(3S,4R)-4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]methyl benzenesulfonate Openeye Name: [(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidinyl]methyl ester IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methyl ester Formula: C19H22FNO3S MolecularWeight: 363.446283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CN1CC[C@H]([C@@H](C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FNO3S/c1-21-12-11-19(15-7-9-17(20)10-8-15)16(13-21)14-24-25(22,23)18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3/t16-,19-/m0/s1