Basic information
- Standard SMILES
CN(CC=Cc1ccc(Cl)cc1)CCN(CCN1CCCCC1)S(=O)(=O)c1cccc2cnccc12- InChIKey
HBXCQOONQJUZHU-UHFFFAOYSA-N- Molecular formula
- C28H35ClN4O2S
- Average molar mass
- 527.1 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-Chloro-N-methylcinnamylamino)ethyl]-N-(2-piperidinoethyl)-5-isoquinolinesulfonamide
- IUPAC
- N-[2-[3-(4-chlorophenyl)prop-2-enyl-methylamino]ethyl]-N-(2-piperidin-1-ylethyl)isoquinoline-5-sulfonamide
Names & synonyms
SCHEMBL9483221HBXCQOONQJUZHU-UHFFFAOYSA-NN-[2-(4-Chloro-N-methylcinnamylamino)ethyl]-N-(2-piperidinoethyl)-5-isoquinolinesulfonamide
Database identifiers
- PubChem CID
- 53869192
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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