Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=CC=CC=C1S(=O)(=O)OC1=C(I)C=C(Cl)C2=C1N=CC=C2

InChIKey

InChIKey=JMTNKICQECJLNE-UHFFFAOYSA-N

Formula

C17H12ClIN2O4S

Mass

502.71

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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 heteropolycyclic compounds

Substituents

Haloquinoline - Benzenesulfonate ester - Chloroquinoline - Acetanilide - Quinoline - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - N-arylamide - Aryl chloride - Aryl halide - Aryl iodide - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic 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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