Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=C(Br)C=CC(Br)=C2)C=CC(\C=N/NC2=NC(=O)[C@@H](C)S2)=C1

InChIKey

InChIKey=RRXKOIOOJRZKDI-INRAOFHCSA-N

Formula

C18H15Br2N3O5S2

Mass

577.26

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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 heteromonocyclic compounds

Substituents

Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Organosulfonic acid ester - Aryl bromide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Meta-thiazoline - Sulfonyl - N-acylimine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic 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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