Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC1=CC=C(C=C1)C(=O)N[C@H](CN=[N+]=[N-])CC(O)=O
InChIKey
InChIKey=YQFXZFHQVFPMMC-KRWDZBQOSA-N
Formula
C20H21N5O6S
Mass
459.48
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
Beta amino acids and derivatives Benzenesulfonamides Acetophenones Benzamides Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Azo compounds Azo imides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Beta amino acid or derivatives - Benzenesulfonamide - Acetophenone - Benzenesulfonyl group - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Azo imide - Azo compound - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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