Basic information
- Standard SMILES
O=S(=O)(NCCN(CC=Cc1ccc(Cl)cc1)Cc1ccc(O)cc1)c1cccc2cnccc12- InChIKey
AGUJBQHRTOMEDU-UHFFFAOYSA-N- Molecular formula
- C27H26ClN3O3S
- Average molar mass
- 508 g/mol
Names & identifiers
- Preferred name
- N-{2-[4-Chloro-N-(4-hydroxybenzyl) cinnamylamino]ethyl}-5-isoquinolinesulfonamide
- IUPAC
- N-[2-[3-(4-chlorophenyl)prop-2-enyl-[(4-hydroxyphenyl)methyl]amino]ethyl]isoquinoline-5-sulfonamide
Names & synonyms
SCHEMBL9484619AGUJBQHRTOMEDU-UHFFFAOYSA-NN-{2-[4-Chloro-N-(4-hydroxybenzyl) cinnamylamino]ethyl}-5-isoquinolinesulfonamideN-{2-[4-Chloro-N-(4-Hydroxybenzyl)Cinnamylamino]ethyl}-5-Isoquinolinesulfonamide
Database identifiers
- PubChem CID
- 53642189
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 758
Related reactions
3 records
Linked notes
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