[4-(4-fluorophenyl)-1-(phenylmethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-1-(phenylmethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-benzyl-4-(4-fluorophenyl)-3-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-1-(phenylmethyl)-3-piperidinyl]methyl ester IUPAC Name: [1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-benzyl-4-(4-fluorophenyl)-3-piperidyl]methyl ester Formula: C26H28FNO3S MolecularWeight: 453.568823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CCC2C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CCC2C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C26H28FNO3S/c1-20-7-13-25(14-8-20)32(29,30)31-19-23-18-28(17-21-5-3-2-4-6-21)16-15-26(23)22-9-11-24(27)12-10-22/h2-14,23,26H,15-19H2,1H3