Compound Identification
SMILES
OCC(NS(=O)(=O)C1=CC=C(CC2=CC3=C(OC(=O)C=C3C(F)(F)F)C=C2)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=PHUCDTUJGHJRRY-UHFFFAOYSA-N
Formula
C25H20F3NO5S
Mass
503.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Benzenesulfonamides 1-benzopyrans Benzenesulfonyl compounds Pyranones and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Lactones Oxacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available