4-[(S)-3-[(R)-1-(naphthalen-1-yl)ethylamino]pyrrolidin-1-yl]phenylethylsulfone hydrochloride
Basic information
- Standard SMILES
C[C@@H](N[C@H]1CCN(c2ccc(CCS(=O)(=O)CCc3ccc(N4CC[C@H](N[C@H](C)c5cccc6ccccc56)C4)cc3)cc2)C1)c1cccc2ccccc12.Cl- InChIKey
HICBYHVEYMOYMU-IQIOUMPFSA-N- Molecular formula
- C48H55ClN4O2S
- Average molar mass
- 787.5 g/mol
Names & identifiers
- Preferred name
- 4-[(S)-3-[(R)-1-(naphthalen-1-yl)ethylamino]pyrrolidin-1-yl]phenylethylsulfone hydrochloride
- IUPAC
- (3S)-N-[(1R)-1-naphthalen-1-ylethyl]-1-[4-[2-[2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethylsulfonyl]ethyl]phenyl]pyrrolidin-3-amine;hydrochloride
Names & synonyms
SCHEMBL2441101HICBYHVEYMOYMU-IQIOUMPFSA-N4-[(S)-3-[(R)-1-(naphthalen-1-yl)ethylamino]pyrrolidin-1-yl]phenylethylsulfone hydrochloride
Database identifiers
- PubChem CID
- 67409079
Properties
Computed structural properties
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,180
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Related reactions
3 records
Compound notes
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