Basic information
- Standard SMILES
COC(=O)c1ccccc1COc1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1- InChIKey
YERKHWFGTSIFLP-UHFFFAOYSA-N- Molecular formula
- C24H25NO5S
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[(4-{2-[(benzylsulfonyl)amino]ethyl}phenoxy)methyl]benzoate
- IUPAC
- methyl 2-[[4-[2-(benzylsulfonylamino)ethyl]phenoxy]methyl]benzoate
Names & synonyms
SCHEMBL3995109YERKHWFGTSIFLP-UHFFFAOYSA-NMethyl 2-[(4-{2-[(benzylsulfonyl)amino]ethyl}phenoxy)methyl]benzoate
Database identifiers
- PubChem CID
- 68869255
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 633
Related reactions
4 records
Compound notes
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