Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC(OS(=O)(=O)C2=CC=CC=C2)=C(C=C1)C(C#N)N(C)C

InChIKey

InChIKey=RXSJSDVPAJAUIO-UHFFFAOYSA-N

Formula

C20H25N3O3S

Mass

387.5

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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

Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aralkylamine - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Alpha-aminonitrile - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Organic oxide - Amine - Cyanide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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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