Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(OC)=C1C(=O)N(CC(C)C)CC1=CC(OS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1

InChIKey

InChIKey=VWHUFXHIJJHFEL-UHFFFAOYSA-N

Formula

C26H28FNO6S

Mass

501.57

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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 homomonocyclic compounds

Substituents

Benzenesulfonate ester - Dimethoxybenzene - M-dimethoxybenzene - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Organosulfonic acid ester - Aryl fluoride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Carboxamide group - Ether - Carboxylic acid derivative - Organosulfur compound - Organohalogen compound - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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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