Basic information
- Standard SMILES
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCc4noc5ccccc45)CC(C2)O3)cc1- InChIKey
RDVGEKCBSXYDFD-UHFFFAOYSA-N- Molecular formula
- C24H27N5O4S
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.17837553
Names & identifiers
- Preferred name
- N-{2-[7-(2-Benzo[d]isoxazol-3-yl-ethyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-4-cyano-benzenesulfonamide
- IUPAC
- N-[2-[7-[2-(1,2-benzoxazol-3-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]-4-cyanobenzenesulfonamide
Names & synonyms
SCHEMBL3119869RDVGEKCBSXYDFD-UHFFFAOYSA-NN-{2-[7-(2-Benzo[d]isoxazol-3-yl-ethyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]non-3-yl]-ethyl}-4-cyano-benzenesulfonamideN-{2-[7-(2-Benzo[d]isoxazol-3-yl-ethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-ethyl}-4-cyano-benzenesulfonamide
Database identifiers
- PubChem CID
- 68518965
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 820
Related reactions
2 records
Compound notes
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