Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NS(=O)(=O)C2=CC3=CC=CC=C3N2C(=O)OC(C)(C)C)C=C(Br)C=C1

InChIKey

InChIKey=CKNAUXNWWOZTIM-UHFFFAOYSA-N

Formula

C21H21BrN2O6S

Mass

509.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indolecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid - Sulfanilide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Indole - Benzoic acid or derivatives - Pyrrole-1-carboxylic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Pyrrole - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.

External Descriptors

Not available

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