Compound Identification
SMILES
OC(=O)CCC1=CC(CCC2=CN=CC=C2)=C(CNS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=INTZBICSAWGVSQ-UHFFFAOYSA-N
Formula
C23H23ClN2O4S
Mass
458.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Pyridines and derivatives Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Pyridine - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available