[3-(4-methylphenyl)sulfonyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-methylphenyl)sulfonyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(p-tolylsulfonyloxy)-4-(4,6,6-trimethyl-2-thioxo-hexahydropyrimidin-4-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-methylphenyl)sulfonyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] ester IUPAC Name: [3-(4-methylphenyl)sulfonyloxy-4-(4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-tosyloxy-4-(4,6,6-trimethyl-2-thioxo-hexahydropyrimidin-4-yl)phenyl] ester Formula: C27H30N2O6S3 MolecularWeight: 574.7319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C3(CC(NC(=S)N3)(C)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)C3(CC(NC(=S)N3)(C)C)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30N2O6S3/c1-18-6-11-21(12-7-18)37(30,31)34-20-10-15-23(27(5)17-26(3,4)28-25(36)29-27)24(16-20)35-38(32,33)22-13-8-19(2)9-14-22/h6-16H,17H2,1-5H3,(H2,28,29,36)