Compound Identification
SMILES
CC1=CC=CC(=N1)C(O)CN1CCC(CC1)C(=O)C1=CC=C(NS(C)(=O)=O)C=C1
InChIKey
InChIKey=UIUCFQUUEISPKW-UHFFFAOYSA-N
Formula
C21H27N3O4S
Mass
417.52
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
Sulfanilides Benzoyl derivatives Aryl alkyl ketones Methylpyridines Aralkylamines Piperidines Organosulfonamides Organic sulfonamides Gamma-amino ketones Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Sulfanilide - Benzoyl - Aryl alkyl ketone - Methylpyridine - Aralkylamine - Monocyclic benzene moiety - Gamma-aminoketone - Piperidine - Pyridine - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary alcohol - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Amine - Alcohol - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic alcohol - 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