Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCSC1=NC2=CC=CC=C2N1CC1=CC=CC=C1

InChIKey

InChIKey=SYRLDYGDTYRZQR-UHFFFAOYSA-N

Formula

C23H22N2O3S2

Mass

438.56

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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

P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzimidazole - Benzenesulfonyl group - Aryl thioether - Toluene - Alkylarylthioether - Organosulfonic acid ester - N-substituted imidazole - Organosulfonic acid or derivatives - Imidazole - Azole - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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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