methyl 2-(4-chlorophenyl)sulfonyl-6-oxidanylidene-1,2-diazinane-4-carboxylate

Systemtic Name: methyl 2-(4-chlorophenyl)sulfonyl-6-oxidanylidene-1,2-diazinane-4-carboxylate Openeye Name: methyl 2-(4-chlorophenyl)sulfonyl-6-oxo-hexahydropyridazine-4-carboxylate CAS Name: 2-(4-chlorophenyl)sulfonyl-6-oxo-4-diazinanecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)sulfonyl-6-oxodiazinane-4-carboxylate Traditional Name: 2-(4-chlorophenyl)sulfonyl-6-keto-hexahydropyridazine-4-carboxylic acid methyl ester Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)NN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1CC(=O)NN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN2O5S/c1-20-12(17)8-6-11(16)14-15(7-8)21(18,19)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,16)