Compound Identification
SMILES
O=C(C(C#N)C1=NC(=O)C2=CC=CC=C2N1)C1=CC=C(C=C1)S(=O)(=O)N1CCCCCC1
InChIKey
InChIKey=KXJYCLIACZATQI-UHFFFAOYSA-N
Formula
C23H22N4O4S
Mass
450.51
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
Quinazolines Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Pyrimidones Azepanes Organosulfonamides Vinylogous amides Sulfonyls Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Quinazoline - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Azepane - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Azacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - 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