Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)N1C[C@H]2C[C@@H]1CN2CC1=CC=CC=C1

InChIKey

InChIKey=HVBINEUHTFQPMA-NHCUHLMSSA-N

Formula

C24H24ClN3O3S2

Mass

502.04

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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 - Benzoyl - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - 2,5-disubstituted thiophene - Aralkylamine - 1,4-diazinane - N-alkylpyrrolidine - Aryl chloride - Organosulfonic acid amide - Aryl halide - Piperazine - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - 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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