Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCOC(=O)C1=C(OCC)C2=C(C=C(Cl)C=C2)N1CCN(C)C
InChIKey
InChIKey=SMEUIVMAOMZIKD-UHFFFAOYSA-N
Formula
C24H31ClN2O6S
Mass
511.03
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 N-alkylindoles Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Indoles Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Aryl chlorides Substituted pyrroles Organosulfonic acids Heteroaromatic compounds Sulfonyls Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Indolecarboxylic acid derivative - P-methylbenzenesulfonate - N-alkylindole - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Indole - 1-sulfo,2-unsubstituted aromatic compound - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur 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