Basic information
- CAS
112997-71-4- Standard SMILES
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1.[NH4+]- InChIKey
PJTSBQRUAGJNLY-UHFFFAOYSA-N- Molecular formula
- C12H17N3O6S
- Average molar mass
- 331.35 g/mol
- Monoisotopic mass
- 331.08380644
Names & identifiers
- Preferred name
- butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt
- IUPAC
- azanium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
Names & synonyms
Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, monoammonium salt112997-71-4Succinanilic acid, 4'-(acetylsulfamoyl)-, monoammonium saltDTXSID201502584-((4-((Acetylamino)sulfonyl)phenyl)amino)-4-oxobutanoic acid monoammonium saltRefChem:330848DTXCID3072749Ammonium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
Database identifiers
- CAS
112997-71-4- PubChem CID
- 60593
- DTXSID
DTXSID20150258
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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