Basic information
- Standard SMILES
C=CCON=C(CC)C1=C(O)CC(c2ccc(NS(C)(=O)=O)cc2)CC1=O- InChIKey
MITCLFRBPHGSMJ-UHFFFAOYSA-N- Molecular formula
- C19H24N2O5S
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- 2-[1-(Allyloxyimino)propyl]-5-(4-methanesulfonamidophenyl)-3-hydroxy-2-cyclohexen-1-one
- IUPAC
- N-[4-[4-(C-ethyl-N-prop-2-enoxycarbonimidoyl)-3-hydroxy-5-oxocyclohex-3-en-1-yl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL10955305MITCLFRBPHGSMJ-UHFFFAOYSA-N2-[1-(allyloxyimino)propyl]-5-(4-methanesulfonamidophenyl)-3-hydroxy-2-cyclohexen-1-one
Database identifiers
- PubChem CID
- 136199969
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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