Compound Identification
SMILES
[Cl-].CN1C=CN=C1C.CC1N(C)C=C[NH+]1CC(=O)C1=CC=C(NS(C)(=O)=O)C=C1
InChIKey
InChIKey=PGNHMJBDULAMOF-UHFFFAOYSA-N
Formula
C19H28ClN5O3S
Mass
441.98
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
-
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
Sulfanilides Aryl alkyl ketones Benzoyl derivatives Organosulfonamides Organic sulfonamides N-substituted imidazoles Quaternary ammonium salts Aminosulfonyl compounds Imidazolines Heteroaromatic compounds Azacyclic compounds Enamines Organic chloride salts Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Sulfanilide - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - N-substituted imidazole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Azole - Imidazole - 4-imidazoline - Quaternary ammonium salt - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Enamine - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic chloride salt - Amine - Hydrocarbon derivative - Organic zwitterion - Organic 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