2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-[[2-(dimethylamino)-2-oxo-ethyl]-methyl-amino]-5-sulfamoyl-benzoic acid CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-5-sulfamoylbenzoic acid IUPAC Name: 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-5-sulfamoylbenzoic acid Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]-methyl-amino]-5-sulfamoyl-benzoic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN(C)C1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN(C)C1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C12H17N3O5S/c1-14(2)11(16)7-15(3)10-5-4-8(21(13,19)20)6-9(10)12(17)18/h4-6H,7H2,1-3H3,(H,17,18)(H2,13,19,20)