Compound Identification
SMILES
[Br-].CS(=O)(=O)NNC(=O)C1=C[N+](CC(=O)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=CTMCLXCLNGOCEB-UHFFFAOYSA-N
Formula
C15H16BrN3O4S
Mass
414.27
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
Nicotinamides Benzoyl derivatives Aryl alkyl ketones Sulfonohydrazides Pyridinium derivatives Hydrazinosulfonyl compounds Vinylogous amides Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nicotinamide - Pyridine carboxylic acid or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Pyridine - Pyridinium - Sulfonohydrazide - Hydrazinosulfonyl compound - Benzenoid - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic oxide - Organic zwitterion - Organic bromide salt - 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