Structure Information
Structure

Compound Identification

SMILES

CC1(C)SC(N\N=C/C2=CC=C(OS(=O)(=O)C3=CC=C(Br)C=C3)C=C2)=NC1=O

InChIKey

InChIKey=ORJHSNFUZJVRRB-JAIQZWGSSA-N

Formula

C18H16BrN3O4S2

Mass

482.37

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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 - Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Meta-thiazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - N-acylimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur 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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