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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
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
4-halobenzoic acids and derivatives Sulfanilides Benzoic acid esters Indoles Pyrrole carboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Substituted pyrroles Organosulfonamides Heteroaromatic compounds Vinylogous amides Aminosulfonyl compounds Methyl esters Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides
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