Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt structure

Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt

azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate

CAS: 112997-71-4
Molecular Formula C12H17N3O6S
Molecular Weight 331.35 g/mol
Topological Polar Surface Area 142.0 A2
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 331.0838
Heavy Atoms 22
Complexity 497.0

Chemical Identifiers

CAS Number 112997-71-4
SMILES CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].[NH4+]
InChIKey PJTSBQRUAGJNLY-UHFFFAOYSA-N

📖 Product Overview

Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt (CAS: 112997-71-4) is a chemical compound with molecular formula C12H17N3O6S and molecular weight 331.35 g/mol. Its IUPAC systematic name is azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate. Topological Polar Surface Area 142.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 331.0838 Heavy Atoms 22 Complexity 497.0 InChI Key: PJTSBQRUAGJNLY-UHFFFAOYSA-N. SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].[NH4+].

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