[1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(p-tolylsulfonyl)-6-(p-tolylsulfonyloxymethyl)-2-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]-2-piperidinyl]methyl ester IUPAC Name: [1-(4-methylphenyl)sulfonyl-6-[(4-methylphenyl)sulfonyloxymethyl]piperidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-tosyl-6-(tosyloxymethyl)-2-piperidyl]methyl ester Formula: C28H33NO8S3 MolecularWeight: 607.75852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCCC2COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCCC2COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H33NO8S3/c1-21-7-13-26(14-8-21)38(30,31)29-24(19-36-39(32,33)27-15-9-22(2)10-16-27)5-4-6-25(29)20-37-40(34,35)28-17-11-23(3)12-18-28/h7-18,24-25H,4-6,19-20H2,1-3H3