Compound Identification
SMILES
NS(=O)(=O)C1=C(Cl)C(C(=O)CC(=O)[C@H](CCC(O)=O)NC(=O)OCC2=CC=CC=C2)=C(Cl)C=C1
InChIKey
InChIKey=QRNVFDXANWWRAV-AWEZNQCLSA-N
Formula
C21H20Cl2N2O8S
Mass
531.36
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
Gamma amino acids and derivatives Phenylbutylamines Butyrophenones Benzenesulfonamides Benzyloxycarbonyls Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Medium-chain fatty acids Beta-diketones Halogenated fatty acids Aryl chlorides Organosulfonamides Carbamate esters Aminosulfonyl compounds Vinylogous halides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Gamma amino acid or derivatives - Butyrophenone - Phenylbutylamine - Benzenesulfonamide - Benzyloxycarbonyl - Benzenesulfonyl group - Benzoyl - 1,3-dichlorobenzene - Medium-chain fatty acid - Aryl alkyl ketone - Chlorobenzene - 1,3-diketone - Halobenzene - Halogenated fatty acid - 1,3-dicarbonyl compound - Fatty acid - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Aryl chloride - Fatty acyl - Aminosulfonyl compound - Vinylogous halide - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic 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