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

Systemtic Name: [4-oxidanyl-1-(phenylmethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: (1-benzyl-4-hydroxy-3-piperidyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-hydroxy-1-(phenylmethyl)-3-piperidinyl]methyl ester IUPAC Name: (1-benzyl-4-hydroxypiperidin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-4-hydroxy-3-piperidyl)methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CCC2O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CCC2O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25NO4S/c1-16-7-9-19(10-8-16)26(23,24)25-15-18-14-21(12-11-20(18)22)13-17-5-3-2-4-6-17/h2-10,18,20,22H,11-15H2,1H3