Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)N1CCN(CCC2=CC=CC=C2)CC1

InChIKey

InChIKey=BKVBMFLNVSZOBP-UHFFFAOYSA-N

Formula

C24H26ClN3O3S2

Mass

504.06

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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 heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Phenethylamine - Benzoyl - Chlorobenzene - Halobenzene - N-alkylpiperazine - 2,5-disubstituted thiophene - Aralkylamine - Aryl halide - Aryl chloride - 1,4-diazinane - Organosulfonic acid amide - Piperazine - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic 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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