Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC(=O)C1=CC2=C(CC(C2)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1

InChIKey

InChIKey=KSCRPFSSIULHJR-UHFFFAOYSA-N

Formula

C21H23NO5S

Mass

401.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Butyrophenones

Intermediate Tree Nodes

Not available

Direct Parent

Butyrophenones

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Butyrophenone - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Indane - Benzenesulfonyl group - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid methyl ester - Fatty acid ester - Toluene - Fatty acyl - Keto acid - Organosulfonic acid amide - Methyl ester - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.

External Descriptors

Not available

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