[6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-(p-tolylsulfonyloxymethyl)-2-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[(4-methylphenyl)sulfonyloxymethyl]-2-piperidinyl]methyl ester IUPAC Name: [6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(tosyloxymethyl)-2-piperidyl]methyl ester Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(N2)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCC(N2)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27NO6S2/c1-16-6-10-20(11-7-16)29(23,24)27-14-18-4-3-5-19(22-18)15-28-30(25,26)21-12-8-17(2)9-13-21/h6-13,18-19,22H,3-5,14-15H2,1-2H3