Basic information
- Standard SMILES
CS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1- InChIKey
VQMNWBGJUGIMOP-UHFFFAOYSA-N- Molecular formula
- C26H26F3NO8S2
- Average molar mass
- 601.6 g/mol
Names & identifiers
- Preferred name
- Trifluoromethanesulfonic acid 6-methanesulfonyloxy-1-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl ester
- IUPAC
- [6-methylsulfonyloxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl] trifluoromethanesulfonate
Names & synonyms
Trifluoromethanesulfonic acid 6-methanesulfonyloxy-1-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl esterSCHEMBL1358542Trifluoro-methanesulfonic acid 6-methanesulfonyloxy-1-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl ester
Database identifiers
- PubChem CID
- 11628623
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
10 records
Compound notes
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