Structure Information
Structure

Compound Identification

SMILES

CCCCN1C(=O)NC(C2=CC=CC=C2OS(=O)(=O)C2=CC=C(C)C=C2)C(C(=O)OCC2=CC=CC=C2)=C1C

InChIKey

InChIKey=YNKVPCZTCRGDEI-UHFFFAOYSA-N

Formula

C30H32N2O6S

Mass

548.65

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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 - P-methylbenzenesulfonate - Benzyloxycarbonyl - Tosyl compound - Arylsulfonic acid or derivatives - Hydropyrimidine carboxylic acid derivative - Benzenesulfonyl group - Phenoxy compound - Pyrimidone - Toluene - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Sulfonyl - Vinylogous amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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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