Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C=CC(\C=N\NC(=S)NC2=C(Cl)C=CC(Cl)=C2)=C1

InChIKey

InChIKey=PLSMGLCQMYCTSX-DHRITJCHSA-N

Formula

C22H19Cl2N3O4S2

Mass

524.43

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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

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anisole - Phenol ether - Methoxybenzene - 1,4-dichlorobenzene - Phenoxy compound - Halobenzene - Toluene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Thiosemicarbazone - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - 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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