Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCN(Cc3cccc(C#N)c3)CC2)c(C)c1.Cl- InChIKey
MTKZIYDITXTFDV-UHFFFAOYSA-N- Molecular formula
- C28H37ClN4O5S
- Average molar mass
- 577.1 g/mol
- Monoisotopic mass
- 576.2173192
Names & identifiers
- Preferred name
- 3-((4-(2-((1-(4-Methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)-methoxy)acetyl)piperazin-1-yl)methyl)benzonitrile hydrochloride
- IUPAC
- 3-[[4-[2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetyl]piperazin-1-yl]methyl]benzonitrile;hydrochloride
Names & synonyms
SCHEMBL2566091MTKZIYDITXTFDV-UHFFFAOYSA-N3-((4-(2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)-methoxy)acetyl)piperazin-1-yl)methyl)benzonitrile hydrochloride
Database identifiers
- PubChem CID
- 24945494
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 927
Related reactions
1 records
Compound notes
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