cis-2-[4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(2-methyl-5-methanesulphonylphenyl)acetamide
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Basic information
- Standard SMILES
Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN1C[C@@H](C)N(S(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1- InChIKey
LEPOOEZQURPIEV-HDICACEKSA-N- Molecular formula
- C23H28N4O5S2
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.15011235
Names & identifiers
- Preferred name
- cis-2-[4-(3-Cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(2-methyl-5-methanesulphonylphenyl)acetamide
- IUPAC
- 2-[(3R,5S)-4-(3-cyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-(2-methyl-5-methylsulfonylphenyl)acetamide
Names & synonyms
SCHEMBL6336502LEPOOEZQURPIEV-HDICACEKSA-Ncis-2-[4-(3-cyanobenzenesulphonyl)-3,5-dimethylpiperazin-1-yl]-n-(2-methyl-5-methanesulphonylphenyl)acetamide
Database identifiers
- PubChem CID
- 69745609
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 983
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Related reactions
1 records
Compound notes
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