Compound Identification
SMILES
CCOC(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C(CC2=CC3=C(OC(=O)C=C3C(F)(F)F)C=C2)C=C1
InChIKey
InChIKey=AYUIRNWWGRIDOP-UHFFFAOYSA-N
Formula
C24H23F3N2O6S
Mass
524.51
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
1-benzopyrans Benzenesulfonamides Piperazine carboxylic acids Benzenesulfonyl compounds Pyranones and derivatives Organosulfonamides Heteroaromatic compounds Carbamate esters Sulfonyls Lactones Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Piperazine-1-carboxylic acid - Pyranone - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carbamic acid ester - Sulfonyl - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl halide - Organic oxide - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - 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