[1-(3-methylphenyl)carbonylpiperidin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(3-methylphenyl)carbonylpiperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(3-methylbenzoyl)-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(3-methylphenyl)-oxomethyl]-4-piperidinyl]methyl ester IUPAC Name: [1-(3-methylbenzoyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-m-toluoyl-4-piperidyl)methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H25NO4S/c1-16-6-8-20(9-7-16)27(24,25)26-15-18-10-12-22(13-11-18)21(23)19-5-3-4-17(2)14-19/h3-9,14,18H,10-13,15H2,1-2H3