[2-cyclopentylsulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-cyclopentylsulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-cyclopentylsulfanyl-5-methyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-5-methyl-6-(4-methylphenyl)sulfonyloxy-4-pyrimidinyl] ester IUPAC Name: [2-cyclopentylsulfanyl-5-methyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-5-methyl-6-tosyloxy-pyrimidin-4-yl] ester Formula: C24H26N2O6S3 MolecularWeight: 534.66804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)SC3CCCC3)OS(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)SC3CCCC3)OS(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C24H26N2O6S3/c1-16-8-12-20(13-9-16)34(27,28)31-22-18(3)23(26-24(25-22)33-19-6-4-5-7-19)32-35(29,30)21-14-10-17(2)11-15-21/h8-15,19H,4-7H2,1-3H3