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

Systemtic Name: [2-ethylsulfanyl-6-(4-methylphenyl)sulfonyloxy-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-ethylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(ethylthio)-6-(4-methylphenyl)sulfonyloxy-4-pyrimidinyl] ester IUPAC Name: [2-ethylsulfanyl-6-(4-methylphenyl)sulfonyloxypyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(ethylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C20H20N2O6S3 MolecularWeight: 480.5776

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=CC(=N1)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCSC1=NC(=CC(=N1)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N2O6S3/c1-4-29-20-21-18(27-30(23,24)16-9-5-14(2)6-10-16)13-19(22-20)28-31(25,26)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3