Basic information
- Standard SMILES
NS(=O)(=O)c1cccc(CCCOCCCCCCCN(Cc2ccccc2)C[C@H](O)c2ccc(O)c(CO)c2)c1- InChIKey
WIAOEEOYFXHKQE-YTTGMZPUSA-N- Molecular formula
- C32H44N2O6S
- Average molar mass
- 584.8 g/mol
Names & identifiers
- Preferred name
- 3-(3-{[7-(Benzyl{(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)heptyl]oxy}propyl)benzenesulfonamide
- IUPAC
- 3-[3-[7-[benzyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]heptoxy]propyl]benzenesulfonamide
Names & synonyms
SCHEMBL4813249WIAOEEOYFXHKQE-YTTGMZPUSA-N3-(3-{[7-(Benzyl {(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)heptyl]oxy}propyl)benzenesulfonamide3-(3-{[7-(Benzyl{(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)heptyl]oxy}propyl)benzenesulfonamide
Database identifiers
- PubChem CID
- 69201211
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 788
Related reactions
7 records
Compound notes
Loading…