Compound Identification
SMILES
CC(OC(=O)C1=C(C)NC2=C1C=C(CCOS(C)(=O)=O)C=C2)C1=CC=CC=C1
InChIKey
InChIKey=HBRBRQAPTJVNNU-UHFFFAOYSA-N
Formula
C21H23NO5S
Mass
401.48
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
Benzyloxycarbonyls Indoles Pyrrole carboxylic acids and derivatives Sulfonic acid esters Substituted pyrroles Organosulfonic acid esters Vinylogous amides Sulfonyls Methanesulfonates Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Benzyloxycarbonyl - Indole - Pyrrole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Substituted pyrrole - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Pyrrole - Vinylogous amide - Sulfonyl - Methanesulfonate - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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