Basic information
- Standard SMILES
CCNC(=O)c1ccc(CN([C@H]2CCCCC[C@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
GRYXGKZNQQMDTD-YADHBBJMSA-N- Molecular formula
- C24H30ClN3O4S
- Average molar mass
- 492 g/mol
Names & identifiers
- Preferred name
- cis-2-[(4-Chlorobenzenesulfonyl)-(4-ethylcarbamoyl-benzyl)-amino]-cycloheptanecarboxylic acid amide
- IUPAC
- cis-(1R,2S)-2-[(4-chlorophenyl)sulfonyl-[[4-(ethylcarbamoyl)phenyl]methyl]amino]cycloheptane-1-carboxamide
Names & synonyms
SCHEMBL6078015GRYXGKZNQQMDTD-YADHBBJMSA-Ncis-2-[(4-Chlorobenzenesulfonyl)-(4-ethylcarbamoyl-benzyl)-amino]-cycloheptanecarboxylic acid amide
Database identifiers
- PubChem CID
- 69655987
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 756
Related reactions
1 records
Compound notes
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