Basic information
- CAS
112997-70-3- Standard SMILES
CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1.[NH3+]CCO- InChIKey
ZYOXGNXCBDWBMI-UHFFFAOYSA-N- Molecular formula
- C14H21N3O7S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11002119
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;2-hydroxyethylazanium
Names & synonyms
112997-70-3DTXSID60150257RefChem:330845DTXCID80727482-Hydroxyethan-1-aminium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
Database identifiers
- CAS
112997-70-3- PubChem CID
- 60592
- DTXSID
DTXSID60150257
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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