Compound Identification
SMILES
C[C@H](OC(=O)C1=NNC2=CC=CC=C12)C(=O)C1=CC=C(NS(C)(=O)=O)C=C1
InChIKey
InChIKey=UTGPFUMKYSWONU-NSHDSACASA-N
Formula
C18H17N3O5S
Mass
387.41
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 Phenylpropanes Indazoles Pyrazole carboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Organosulfonamides Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Sulfanilide - Benzopyrazole - Indazole - Phenylpropane - Benzoyl - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl alkyl ketone - Organosulfonic acid amide - Organic sulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic 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