1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
Basic information
- CAS
56069-44-4- Standard SMILES
COC1(OC)C(c2ccccc2)C(C#N)(S(=O)(=O)c2ccccc2)C1(OC)OC- InChIKey
MOWLZXOQWIAMHZ-UHFFFAOYSA-N- Molecular formula
- C21H23NO6S
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.12460863
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
- IUPAC
- 1-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
Names & synonyms
56069-44-41-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrileAG-650/41069222NSC362887DTXSID70320661NSC-362887DS-0005592,2,3,3-tetramethoxy-4-phenyl-1-(phenylsulfonyl)cyclobutanecarbonitrileCYCLOBUTANECARBONITRILE,2,2,3,3-TETRAMETHOXY-4-PHENYL-1-(PHENYLSULFONYL)-
Database identifiers
- CAS
56069-44-4- PubChem CID
- 338797
- DTXSID
DTXSID70320661
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 718
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Compound notes
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