Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)OCC1=CC(C(=O)N2CCNCC2)=C(F)C=C1

InChIKey

InChIKey=CRTYZZDVSIQRKI-UHFFFAOYSA-N

Formula

C13H17FN2O4S

Mass

316.35

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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 - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperazine - 1,4-diazinane - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Vinylogous halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - 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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