Basic information
- CAS
112997-61-2- Standard SMILES
C1CC[NH2+]CC1.NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1- InChIKey
USSSPSQADFVFCS-UHFFFAOYSA-N- Molecular formula
- C15H23N3O5S
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.13584202
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with piperidine (1:1)
- IUPAC
- 4-oxo-4-(4-sulfamoylanilino)butanoate;piperidin-1-ium
Names & synonyms
112997-61-2DTXSID70150248RefChem:330860DTXCID9072739Piperidin-1-ium 4-oxo-4-(4-sulfamoylanilino)butanoate
Database identifiers
- CAS
112997-61-2- PubChem CID
- 60581
- DTXSID
DTXSID70150248
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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