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

Systemtic Name: [2-cyclopentylsulfanyl-6-(4-methylphenyl)sulfonyloxy-5-propan-2-yl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-cyclopentylsulfanyl-5-isopropyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-6-(4-methylphenyl)sulfonyloxy-5-propan-2-yl-4-pyrimidinyl] ester IUPAC Name: [2-cyclopentylsulfanyl-6-(4-methylphenyl)sulfonyloxy-5-propan-2-ylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyclopentylthio)-5-isopropyl-6-tosyloxy-pyrimidin-4-yl] ester Formula: C26H30N2O6S3 MolecularWeight: 562.7212

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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(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(C)C

InChI

InChI=1S/C26H30N2O6S3/c1-17(2)23-24(33-36(29,30)21-13-9-18(3)10-14-21)27-26(35-20-7-5-6-8-20)28-25(23)34-37(31,32)22-15-11-19(4)12-16-22/h9-17,20H,5-8H2,1-4H3