(4-methoxyphenyl)sulfonyl 6-oxidanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: (4-methoxyphenyl)sulfonyl 6-oxidanylidene-1,3-diazinane-4-carboxylate Openeye Name: (4-methoxyphenyl)sulfonyl 6-oxohexahydropyrimidine-4-carboxylate CAS Name: 6-oxo-1,3-diazinane-4-carboxylic acid (4-methoxyphenyl)sulfonyl ester IUPAC Name: (4-methoxyphenyl)sulfonyl 6-oxo-1,3-diazinane-4-carboxylate Traditional Name: 6-ketohexahydropyrimidine-4-carboxylic acid (4-methoxyphenyl)sulfonyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC(=O)NCN2

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC(=O)NCN2

InChI

InChI=1S/C12H14N2O6S/c1-19-8-2-4-9(5-3-8)21(17,18)20-12(16)10-6-11(15)14-7-13-10/h2-5,10,13H,6-7H2,1H3,(H,14,15)