Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NNC1=C(Cl)C=C(Cl)C=C1Cl
InChIKey
InChIKey=VCBDBCCBXZAHFO-UHFFFAOYSA-N
Formula
C22H27Cl3N4O4S
Mass
549.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Valine and derivatives N-acyl-alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Phenylhydrazines Benzoyl derivatives Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid hydrazides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available