Compound Identification
SMILES
COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(NCCC(=O)C3=CC=CC=C3)C=C2)=C1
InChIKey
InChIKey=XSWLSCSKRVPQFP-UHFFFAOYSA-N
Formula
C21H22N4O5S
Mass
442.49
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
Aminobenzenesulfonamides Benzenesulfonyl compounds Phenylalkylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Beta-amino ketones Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Aminobenzenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Beta-aminoketone - Pyrimidine - Organosulfonic acid amide - Benzenoid - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Secondary amine - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - 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