Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C(C(=O)N2CCC3=CC=CC=C23)=C(Br)C=C1
InChIKey
InChIKey=PHSPWJVILAWFDX-UHFFFAOYSA-N
Formula
C23H20BrNO5S
Mass
502.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- 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 and derivatives
Alternative Parents
p-Methylbenzenesulfonates Benzenesulfonate esters 2-halobenzoic acids and derivatives Tosyl compounds Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonic acid esters Vinylogous halides Sulfonyls Tertiary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Benzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Arylsulfonic acid or derivatives - Phenol ether - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Toluene - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Aryl halide - Aryl bromide - Organosulfonic acid ester - Monocyclic benzene moiety - Vinylogous halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available