Basic information
- CAS
112997-69-0- Standard SMILES
C1COCC[NH2+]1.CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1- InChIKey
FPFKWPIHJJBWGH-UHFFFAOYSA-N- Molecular formula
- C16H23N3O7S
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.12567125
Names & identifiers
- Preferred name
- Butanoic acid, 4-((4-((acetylamino)sulfonyl)phenyl)amino)-4-oxo-, compd. with morpholine (1:1)
- IUPAC
- 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate;morpholin-4-ium
Names & synonyms
112997-69-0DTXSID00150256RefChem:330846DTXCID3072747Morpholin-4-ium 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
Database identifiers
- CAS
112997-69-0- PubChem CID
- 60591
- DTXSID
DTXSID00150256
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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