Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=XXUJUVAEEIWKGL-UHFFFAOYSA-N

Formula

C20H22BrN3O5S

Mass

496.38

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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

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Halobenzene - Organosulfonic acid amide - 1,4-diazinane - Piperazine - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic 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

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