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

Systemtic Name: [6-(4-methylphenyl)sulfonyloxy-2-propan-2-ylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-isopropylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(4-methylphenyl)sulfonyloxy-2-(propan-2-ylthio)-4-pyrimidinyl] ester IUPAC Name: [6-(4-methylphenyl)sulfonyloxy-2-propan-2-ylsulfanylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(isopropylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C21H22N2O6S3 MolecularWeight: 494.60418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=N2)SC(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=N2)SC(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O6S3/c1-14(2)30-21-22-19(28-31(24,25)17-9-5-15(3)6-10-17)13-20(23-21)29-32(26,27)18-11-7-16(4)8-12-18/h5-14H,1-4H3