Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]12CCN3C(=O)C[C@@H]4CCCC[C@]34[C@@H]1CC(=O)O2

InChIKey

InChIKey=YHRWJFMTJVBYNA-REIYTJMXSA-N

Formula

C22H27NO6S

Mass

433.52

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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 - Azaspirodecane - Tosyl compound - Arylsulfonic acid or derivatives - Indole or derivatives - Indolizidine - Benzenesulfonyl group - Toluene - Gamma butyrolactone - N-alkylpyrrolidine - Piperidine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid ester - Oxolane - Pyrrolidine - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Carboxylic acid ester - Lactone - Lactam - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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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