4-[6-methyl-3,4,5-tris(oxidanylidene)-1,2-diazinan-1-yl]-2-sulfamoyl-benzoic acid

Systemtic Name: 4-[6-methyl-3,4,5-tris(oxidanylidene)-1,2-diazinan-1-yl]-2-sulfamoyl-benzoic acid Openeye Name: 4-(6-methyl-3,4,5-trioxo-hexahydropyridazin-1-yl)-2-sulfamoyl-benzoic acid CAS Name: 4-(6-methyl-3,4,5-trioxo-1-diazinanyl)-2-sulfamoylbenzoic acid IUPAC Name: 4-(6-methyl-3,4,5-trioxodiazinan-1-yl)-2-sulfamoylbenzoic acid Traditional Name: 2-sulfamoyl-4-(3,4,5-triketo-6-methyl-hexahydropyridazin-1-yl)benzoic acid Formula: C12H11N3O7S MolecularWeight: 341.29664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=O)C(=O)NN1C2=CC(=C(C=C2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1C(=O)C(=O)C(=O)NN1C2=CC(=C(C=C2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C12H11N3O7S/c1-5-9(16)10(17)11(18)14-15(5)6-2-3-7(12(19)20)8(4-6)23(13,21)22/h2-5H,1H3,(H,14,18)(H,19,20)(H2,13,21,22)