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

Systemtic Name: [2-cyclopentylsulfanyl-5-ethyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-cyclopentylsulfanyl-5-ethyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-5-ethyl-6-(4-methylphenyl)sulfonyloxy-4-pyrimidinyl] ester IUPAC Name: [2-cyclopentylsulfanyl-5-ethyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-5-ethyl-6-tosyloxy-pyrimidin-4-yl] ester Formula: C25H28N2O6S3 MolecularWeight: 548.69462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SC3CCCC3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SC3CCCC3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N2O6S3/c1-4-22-23(32-35(28,29)20-13-9-17(2)10-14-20)26-25(34-19-7-5-6-8-19)27-24(22)33-36(30,31)21-15-11-18(3)12-16-21/h9-16,19H,4-8H2,1-3H3