Basic information
- Standard SMILES
CON(Cc1ccc(F)cc1)C(=O)C=C(O)C(=O)NS(=O)(=O)c1ccc(C)cc1- InChIKey
YEMQEIGKICNECB-UHFFFAOYSA-N- Molecular formula
- C19H19FN2O6S
- Average molar mass
- 422.4 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-4-oxo-4-(toluene-4-sulfonylamino)-but-2-enoic acid (4-fluoro-benzyl)-methoxy-amide
- IUPAC
- N'-[(4-fluorophenyl)methyl]-2-hydroxy-N'-methoxy-N-(4-methylphenyl)sulfonylbut-2-enediamide
Names & synonyms
YEMQEIGKICNECB-UHFFFAOYSA-N3-Hydroxy-4-oxo-4-(toluene-4-sulfonylamino)-but-2-enoic acid (4-fluoro-benzyl)-methoxy-amide
Database identifiers
- PubChem CID
- 76169161
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 705
Related reactions
1 records
Compound notes
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