Compound Identification
SMILES
O=C(C[C@@H](C(=O)NC1=CC2=C(OCO2)C=C1)C(=O)C1=CC=CC=C1)N[C@H]1CCS(=O)(=O)C1
InChIKey
InChIKey=ZJJVCUAYPCXBBY-DLBZAZTESA-N
Formula
C22H22N2O7S
Mass
458.49
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
Butyrophenones Benzodioxoles Aryl alkyl ketones Benzoyl derivatives N-arylamides 1,3-dicarbonyl compounds N-acyl amines Sulfones Thiolanes Secondary carboxylic acid amides Acetals Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzodioxole - Benzoyl - Aryl alkyl ketone - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - 1,3-dicarbonyl compound - Sulfone - Thiolane - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aldehyde - 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