azanium 4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: azanium 4-[[4-(ethanoylsulfamoyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ammonium 4-[4-(acetylsulfamoyl)anilino]-4-oxo-butanoate CAS Name: ammonium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate IUPAC Name: azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate Traditional Name: ammonium 4-[4-(acetylsulfamoyl)anilino]-4-keto-butyrate Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].[NH4+]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].[NH4+]

InChI

InChI=1S/C12H14N2O6S.H3N/c1-8(15)14-21(19,20)10-4-2-9(3-5-10)13-11(16)6-7-12(17)18;/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18);1H3