Structure Information
Structure

Compound Identification

SMILES

CCCS(=O)(=O)N1CCC(CNC(=O)C2=C(F)C=CC=C2Cl)(CC1)C1=NC(=CC=C1)N1CCOCC1

InChIKey

InChIKey=JECYVOSTKCVXFK-UHFFFAOYSA-N

Formula

C25H32ClFN4O4S

Mass

539.06

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Aminopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Imidolactam - Aryl fluoride - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl halide - Pyridine - Piperidine - Oxazinane - Aryl chloride - Morpholine - Heteroaromatic compound - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organonitrogen compound - Amine - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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