Basic information
- Standard SMILES
CS(=O)(=O)OCc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cc1- InChIKey
NOWSQFCFLIMKOP-GIDUJCDVSA-N- Molecular formula
- C23H20ClNO4S
- Average molar mass
- 441.9 g/mol
Names & identifiers
- Preferred name
- 4-[(E)-2-(4'-chlorobiphenyl-4-ylcarbamoyl)vinyl]benzyl Methanesulfonate
- IUPAC
- [4-[(E)-3-[4-(4-chlorophenyl)anilino]-3-oxoprop-1-enyl]phenyl]methyl methanesulfonate
Names & synonyms
SCHEMBL3866403NOWSQFCFLIMKOP-GIDUJCDVSA-N4-[(E)-2-(4'-chlorobiphenyl-4-ylcarbamoyl)vinyl]benzyl Methanesulfonate
Database identifiers
- PubChem CID
- 86601893
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
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