Compound Identification
SMILES
CC1=NC2=C(C=C1)C=C(NS(=O)(=O)C1=CC=C(CC3=CC4=C(OC(=O)C=C4C(F)(F)F)C=C3)C=C1)C=C2
InChIKey
InChIKey=NUPITUIQWOEARE-UHFFFAOYSA-N
Formula
C27H19F3N2O4S
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
Sulfanilides Quinolines and derivatives 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives Methylpyridines Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Lactones Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Quinoline - Benzenesulfonamide - Benzopyran - Sulfanilide - 1-benzopyran - Benzenesulfonyl group - Methylpyridine - Pyranone - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Pyridine - Pyran - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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