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

Systemtic Name: [2-cyclopentylsulfanyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-cyclopentylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-6-(4-methylphenyl)sulfonyloxy-4-pyrimidinyl] ester IUPAC Name: [2-cyclopentylsulfanyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C23H24N2O6S3 MolecularWeight: 520.64146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O6S3/c1-16-7-11-19(12-8-16)33(26,27)30-21-15-22(25-23(24-21)32-18-5-3-4-6-18)31-34(28,29)20-13-9-17(2)10-14-20/h7-15,18H,3-6H2,1-2H3