Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@](C)([C@@H](O)C1=CN(C(=O)OC(C)(C)C)C2=CC=CC=C12)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=XLDFFMNFWRRJTN-DHIFEGFHSA-N
Formula
C31H34N2O7S
Mass
578.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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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
P-toluenesulfonamides 3-alkylindoles Alpha amino acids and derivatives Benzenesulfonamides Benzyloxycarbonyls Benzenesulfonyl compounds Pyrrole carboxylic acids and derivatives Beta hydroxy acids and derivatives Fatty acid esters Substituted pyrroles Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary alcohols Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - P-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzyloxycarbonyl - Tosyl compound - 3-alkylindole - Benzenesulfonyl group - Indole - Pyrrole-1-carboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Toluene - Benzenoid - Fatty acyl - Organosulfonic acid amide - Substituted pyrrole - Monocyclic benzene moiety - Hydroxy acid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Aminosulfonyl compound - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic alcohol - 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