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

Systemtic Name: [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-propan-2-ylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-ethyl-2-isopropylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-(propan-2-ylthio)-4-pyrimidinyl] ester IUPAC Name: [5-ethyl-6-(4-methylphenyl)sulfonyloxy-2-propan-2-ylsulfanylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-ethyl-2-(isopropylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C23H26N2O6S3 MolecularWeight: 522.65734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SC(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SC(C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2O6S3/c1-6-20-21(30-33(26,27)18-11-7-16(4)8-12-18)24-23(32-15(2)3)25-22(20)31-34(28,29)19-13-9-17(5)10-14-19/h7-15H,6H2,1-5H3