Basic information
- CAS
3340-67-8- Standard SMILES
COc1ccc(S(=O)(=O)N2C=Cc3ccccc3C2C#N)cc1- InChIKey
FYKSVCWIHMTYBV-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.07251349
Names & identifiers
- Preferred name
- 2-[(4-Methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile
- IUPAC
- 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile
Names & synonyms
3340-67-82-[(4-methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrileNSC85630DTXSID40292801NSC-856302-(4-Methoxybenzene-1-sulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile
Database identifiers
- CAS
3340-67-8- PubChem CID
- 257529
- DTXSID
DTXSID40292801
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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