methyl 2-oxidanylidene-5-(4-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 2-oxidanylidene-5-(4-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxylate Openeye Name: methyl 2-oxo-5-(4-phenoxyphenyl)sulfonyl-hexahydropyrimidine-5-carboxylate CAS Name: 2-oxo-5-(4-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 2-oxo-5-(4-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-5-(4-phenoxyphenyl)sulfonyl-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CNC(=O)NC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CNC(=O)NC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O6S/c1-25-16(21)18(11-19-17(22)20-12-18)27(23,24)15-9-7-14(8-10-15)26-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,20,22)