Compound Identification
SMILES
ClC1=C(C=C(C=C1)S(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)C(C#N)C1=CC=CC=N1
InChIKey
InChIKey=FNUCQXFOJSIHGE-UHFFFAOYSA-N
Formula
C23H18ClN3O3S
Mass
451.93
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
-
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
Tetrahydroisoquinolines Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyridines and derivatives Organosulfonamides Heteroaromatic compounds Vinylogous halides Sulfonyls Azacyclic compounds Nitriles Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Tetrahydroisoquinoline - Benzenesulfonamide - Benzenesulfonyl group - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Pyridine - Organosulfonic acid amide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous halide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - 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