Compound Identification
SMILES
CC(=O)C1=CC=C(OCCCN2C[C@H]3C[C@@H]2CN3S(=O)(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=PJGCVDVDUXCNPQ-WOJBJXKFSA-N
Formula
C22H26N2O4S
Mass
414.52
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
Benzenesulfonamides Acetophenones Benzenesulfonyl compounds Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Phenol ethers N-alkylpiperazines Alkyl aryl ethers N-alkylpyrrolidines Organosulfonamides Sulfonyls Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Acetophenone - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Organosulfonic acid amide - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Amine - 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