phenyl 2-[3-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenesulfonate

Systemtic Name: phenyl 2-[3-cyclohexyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzenesulfonate Openeye Name: phenyl 2-(3-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)benzenesulfonate CAS Name: 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate Traditional Name: 2-(3-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-1-yl)benzenesulfonic acid phenyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O6S/c25-20-15-21(26)24(22(27)23(20)16-9-3-1-4-10-16)18-13-7-8-14-19(18)31(28,29)30-17-11-5-2-6-12-17/h2,5-8,11-14,16H,1,3-4,9-10,15H2