Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1C(CC(=O)C2=CC=C(Cl)C=C2)C(CC=C)OC1=O
InChIKey
InChIKey=WXADXCXHSDNGSV-UHFFFAOYSA-N
Formula
C21H20ClNO5S
Mass
433.9
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
Tosyl compounds Benzenesulfonamides Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Oxazolidinones Aryl chlorides Sulfonyls Organosulfonic acids and derivatives Azacyclic compounds Oxacyclic compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidinone - Oxazolidine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic 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