Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccc(C(=O)NCC2(O)CN3CCC2CC3)cc1.CS(=O)(=O)Nc1ccc(C(=O)NCC2(O)CN3CCC2CC3)cc1.O- InChIKey
YQGQWFCOUUMFJP-UHFFFAOYSA-N- Molecular formula
- C32H48N6O9S2
- Average molar mass
- 724.9 g/mol
Names & identifiers
- Preferred name
- N-(3-Hydroxy-1-azabicyclo[2.2.2]oct-3-ylmethyl)-4-[(methylsulfonyl)amino]-benzamide hemihydrate
- IUPAC
- bis(N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-4-(methanesulfonamido)benzamide);hydrate
Names & synonyms
SCHEMBL9623050YQGQWFCOUUMFJP-UHFFFAOYSA-NN-(3-Hydroxy-1-azabicyclo[2.2.2]oct-3-ylmethyl)-4-[(methylsulfonyl)amino]-benzamide hemihydrate
Database identifiers
- PubChem CID
- 67894696
Properties
Computed structural properties
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 560
Related reactions
1 records
Compound notes
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