Structure Information
Structure

Compound Identification

SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)N=C(NC(=O)C1=CC=C(Br)C=C1)S2

InChIKey

InChIKey=GTTZHUOEUHAPBP-UHFFFAOYSA-N

Formula

C22H26BrN3O3S2

Mass

524.49

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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

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Benzoyl - Bromobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Aryl bromide - Aminosulfonyl compound - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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