Compound Identification
SMILES
COC(=O)CCC(=O)C1=CC2=C(CC(C2)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=KSCRPFSSIULHJR-UHFFFAOYSA-N
Formula
C21H23NO5S
Mass
401.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
P-toluenesulfonamides Benzenesulfonamides Indanes Benzenesulfonyl compounds Gamma-keto acids and derivatives Aryl alkyl ketones Fatty acid methyl esters Organosulfonamides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Butyrophenone - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Indane - Benzenesulfonyl group - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid methyl ester - Fatty acid ester - Toluene - Fatty acyl - Keto acid - Organosulfonic acid amide - Methyl ester - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available