Compound Identification
SMILES
CC(=O)C1=CC(NC(=O)C2CCN(CC2)S(=O)(=O)C2=C(C)C=CC(=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=ZCWHBDFUXBSUKH-UHFFFAOYSA-N
Formula
C21H23N3O6S
Mass
445.49
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
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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 Anilides Benzenesulfonyl compounds Nitrobenzenes Nitrotoluenes Piperidinecarboxamides Nitroaromatic compounds N-arylamides Benzoyl derivatives Aryl alkyl ketones Organosulfonamides Sulfonyls Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Piperidinecarboxamide - Nitrobenzene - Anilide - Nitrotoluene - Acetophenone - Benzenesulfonyl group - Aryl alkyl ketone - N-arylamide - Benzoyl - Nitroaromatic compound - Toluene - Benzenoid - Organosulfonic acid amide - Piperidine - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic zwitterion - 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