Basic information
- CAS
315248-95-4- Standard SMILES
CCOC(=O)C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1- InChIKey
NMSLUOCQLYNUMW-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.14059304
Names & identifiers
- Preferred name
- Ethyl 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobut-2-enoate
- IUPAC
- ethyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoate
Names & synonyms
Ethyl 4-[4-(azepane-1-sulfonyl)anilino]-4-oxobut-2-enoateDTXSID701135805ETHYL (2E)-3-{[4-(AZEPANE-1-SULFONYL)PHENYL]CARBAMOYL}PROP-2-ENOATE
Database identifiers
- CAS
315248-95-4- PubChem CID
- 3125857
- DTXSID
DTXSID701135805
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…