Basic information
- CAS
112997-62-3- Standard SMILES
C1COCC[NH2+]1.NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1- InChIKey
CIHWDSAHPNKHDV-UHFFFAOYSA-N- Molecular formula
- C14H21N3O6S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11510657
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with morpholine (1:1)
- IUPAC
- morpholin-4-ium;4-oxo-4-(4-sulfamoylanilino)butanoate
Names & synonyms
112997-62-3DTXSID30150249RefChem:330859DTXCID8072740Morpholin-4-ium 4-oxo-4-(4-sulfamoylanilino)butanoate
Database identifiers
- CAS
112997-62-3- PubChem CID
- 60583
- DTXSID
DTXSID30150249
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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