Basic information
- Standard SMILES
CC(C)C1CCNC(=O)C(N(Cc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1- InChIKey
CTYSTOXUECWCGA-UHFFFAOYSA-N- Molecular formula
- C23H28ClN3O4S
- Average molar mass
- 478 g/mol
Names & identifiers
- Preferred name
- 4-{[(4-Chloro-benzenesulfonyl)-(5-isopropyl-2-oxo-azepan-3-yl)-amino]-methyl}-benzamide
- IUPAC
- 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-5-propan-2-ylazepan-3-yl)amino]methyl]benzamide
Names & synonyms
SCHEMBL5567552CTYSTOXUECWCGA-UHFFFAOYSA-N4-{[(4-Chloro-benzenesulfonyl)-(5-isopropyl-2-oxo-azepan-3-yl)-amino]-methyl}-benzamide
Database identifiers
- PubChem CID
- 11655908
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 754
Related reactions
1 records
Compound notes
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