Compound Identification
SMILES
CN(C)S(=O)(=O)C1=C(Cl)C=CC(NC(=O)COC2=CC3=C(C=C2)C(C)=CC(=O)O3)=C1
InChIKey
InChIKey=BTAQPMIFNCVAIG-UHFFFAOYSA-N
Formula
C20H19ClN2O6S
Mass
450.89
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 Anilides Benzenesulfonyl compounds N-arylamides Pyranones and derivatives Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Anilide - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyran - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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