Compound Identification
SMILES
CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(C=C2)N=NCC(=O)C2=CC(C(O)=O)=C(O)C=C2)=N1
InChIKey
InChIKey=GKQWPILYKJEPIQ-UHFFFAOYSA-N
Formula
C21H19N5O6S
Mass
469.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Salicylic acids Benzenesulfonamides Benzoic acids Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrimidines and pyrimidine derivatives Organosulfonamides Vinylogous acids Aminosulfonyl compounds Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Vinylogous acid - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azo compound - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available