Basic information
- Standard SMILES
COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2c(OC(F)(F)F)ccc(F)c21.O=S(=O)(O)c1ccccc1- InChIKey
RMOHYGOUQMWVIY-UHFFFAOYSA-N- Molecular formula
- C31H32F5N3O6S
- Average molar mass
- 669.7 g/mol
- Monoisotopic mass
- 669.19319773
Names & identifiers
- Preferred name
- [4-(5-aminomethyl-2-fluorophenyl)piperidine-1-yl][7-fluoro-1-(2-methoxyethyl)-4-trifluoromethoxy-1H-indol-3-yl]methanone benzenesulfonate
- IUPAC
- [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]methanone;benzenesulfonic acid
Names & synonyms
[4-(5-aminomethyl-2-fluorophenyl)piperidine-1-yl][7-fluoro-1-(2-methoxyethyl)-4-trifluoromethoxy-1H-indol-3-yl]methanone benzenesulfonateSCHEMBL2280873
Database identifiers
- PubChem CID
- 86656587
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
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