Basic information
- Standard SMILES
CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(C#N)c3C2=O)ccc1OC- InChIKey
ZFJZHAXBFHAUJV-UHFFFAOYSA-N- Molecular formula
- C21H20N2O6S
- Average molar mass
- 428.5 g/mol
Names & identifiers
- Preferred name
- 4-Cyano-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione
- IUPAC
- 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindole-4-carbonitrile
Names & synonyms
SCHEMBL537423ZFJZHAXBFHAUJV-UHFFFAOYSA-N4-cyano-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonyl-ethyl]isoindoline-1,3-dione4-cyano-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 18758384
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 813
Related reactions
5 records
Compound notes
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