1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(2,4,6-trioxo-5-phenyl-hexahydropyrimidin-5-yl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl ester IUPAC Name: 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-2-(2,4,6-triketo-5-phenyl-hexahydropyrimidin-5-yl)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6S/c1-13-8-10-16(11-9-13)29(26,27)28-14(2)12-20(15-6-4-3-5-7-15)17(23)21-19(25)22-18(20)24/h3-11,14H,12H2,1-2H3,(H2,21,22,23,24,25)