Compound Identification
SMILES
NS(=O)(=O)C1=CC=C(CCNCC2=CC(=O)OC3=C2C=CC(Cl)=C3)C=C1
InChIKey
InChIKey=SGZAPZZACULLGE-UHFFFAOYSA-N
Formula
C18H17ClN2O4S
Mass
392.85
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 Phenethylamines Benzenesulfonyl compounds Pyranones and derivatives Aralkylamines Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Lactones Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Phenethylamine - Pyranone - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Lactone - Secondary amine - Organoheterocyclic compound - Oxacycle - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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