Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)OC1=CC=C(CN(CC2CCCO2)C(=O)C2=CC=C(F)C=C2)C=C1

InChIKey

InChIKey=MWZUPFUYGOXDRE-UHFFFAOYSA-N

Formula

C20H22FNO5S

Mass

407.46

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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 - Phenoxy compound - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Sulfonic acid ester - Organosulfonic acid ester - Aryl halide - Oxolane - Organosulfonic acid or derivatives - Methanesulfonate - Sulfonyl - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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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