Basic information
- Standard SMILES
CC(=O)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)ccc1Cl- InChIKey
IDRATTPCSMSKFC-UHFFFAOYSA-N- Molecular formula
- C37H42ClN5O4S
- Average molar mass
- 688.3 g/mol
Names & identifiers
- Preferred name
- N-acetyl-2-chloro-5-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzene-sulfonamide
- IUPAC
- N-[2-chloro-5-[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidine-1-carbonyl]phenyl]sulfonylacetamide
Names & synonyms
SCHEMBL3530649IDRATTPCSMSKFC-UHFFFAOYSA-NN-acetyl-2-chloro-5-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl] benzene-sulfonamideN-acetyl-2-chloro-5-[(4-{2-[3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}-4-phenylpiperidin-1-yl)carbonyl]benzene-sulfonamide
Database identifiers
- PubChem CID
- 58728673
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
2 records
Compound notes
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