Basic information
- Standard SMILES
CCOc1ccc(S(C)(=O)=O)c(OC2CCCC2)c1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1- InChIKey
MRDYIYMVNOSOMR-UHFFFAOYSA-N- Molecular formula
- C26H34N2O7S2
- Average molar mass
- 550.7 g/mol
Names & identifiers
- Preferred name
- (2-Cyclopentyloxy-6-ethoxy-3-methanesulfonyl-phenyl)-[4-(4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone
- IUPAC
- (2-cyclopentyloxy-6-ethoxy-3-methylsulfonylphenyl)-[4-(4-methylsulfonylphenyl)piperazin-1-yl]methanone
Names & synonyms
SCHEMBL4429109MRDYIYMVNOSOMR-UHFFFAOYSA-N(2-Cyclopentyloxy-6-ethoxy-3-methanesulfonyl-phenyl)-[4-(4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone
Database identifiers
- PubChem CID
- 69040251
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 969
Related reactions
3 records
Compound notes
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