Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)C1- InChIKey
DQFGVOUSXOHPFS-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO6S
- Average molar mass
- 482 g/mol
Names & identifiers
- Preferred name
- 2-Chlorobenzenesulfonic acid 3-[[N-(tert-butoxycarbonyl)piperidin-3-yl]methoxy]phenyl ester
- IUPAC
- tert-butyl 3-[[3-(2-chlorophenyl)sulfonyloxyphenoxy]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL7548937DQFGVOUSXOHPFS-UHFFFAOYSA-N2-Chlorobenzenesulfonic acid 3-[[N-(tert-butoxycarbonyl)piperidin-3-yl]methoxy]phenyl ester2-Chlorobenzenesulfonic acid 3-[[N-(tert-butoxycarbonyl)piperidin-3-yl]-methoxy]phenyl ester
Database identifiers
- PubChem CID
- 53773441
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
Loading…