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

Systemtic Name: [6-(4-methylphenyl)sulfonyloxy-2-phenacylsulfanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-phenacylsulfanyl-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(4-methylphenyl)sulfonyloxy-2-(phenacylthio)-4-pyrimidinyl] ester IUPAC Name: [6-(4-methylphenyl)sulfonyloxy-2-phenacylsulfanylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(phenacylthio)-6-tosyloxy-pyrimidin-4-yl] ester Formula: C26H22N2O7S3 MolecularWeight: 570.65708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=N2)SCC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC(=N2)SCC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H22N2O7S3/c1-18-8-12-21(13-9-18)37(30,31)34-24-16-25(35-38(32,33)22-14-10-19(2)11-15-22)28-26(27-24)36-17-23(29)20-6-4-3-5-7-20/h3-16H,17H2,1-2H3