Compound Identification
SMILES
NS(=O)(=O)CC1=NOC2=CC=CC=C12.CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=ISAMYVPKXXKYOR-UHFFFAOYSA-N
Formula
C21H26ClN3O4S
Mass
451.97
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
Phenylpropanes Benzisoxazoles Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Organosulfonamides Aryl chlorides Organic sulfonamides Alpha-amino ketones Aminosulfonyl compounds Isoxazoles Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Benzisoxazole - Phenylpropane - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Organic sulfonic acid amide - Organosulfonic acid amide - Isoxazole - Alpha-aminoketone - Azole - Heteroaromatic compound - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Amine - Aromatic heteropolycyclic 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