Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=C(CCC([O-])=O)C2=C(C[C@@H](CC2)NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=BQMSKINGUUUIHE-PKLMIRHRSA-M

Formula

C20H21ClNNaO4S

Mass

429.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Tetralins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tetralins

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Benzenesulfonamide - Tetralin - Benzenesulfonyl group - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid salt - Carboxylic acid derivative - Organic metal halide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.

External Descriptors

Not available

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