Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(CC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1

InChIKey

InChIKey=VKHYMDDDSPRQNN-UHFFFAOYSA-N

Formula

C21H16ClF3N2O4S

Mass

484.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonate ester - Acetanilide - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - Phenoxy compound - N-arylamide - Aryl chloride - Aryl halide - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkyl halide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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