Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)N1C=C(CC(NC(=O)C2=C(Cl)C=CC=C2Cl)C(O)=O)C2=CC=CC=C12

InChIKey

InChIKey=KGFKDNNWUDUALC-UHFFFAOYSA-N

Formula

C19H16Cl2N2O5S

Mass

455.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 3-alkylindole - Halobenzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Substituted pyrrole - Aryl halide - Aryl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrole - Sulfonyl - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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