Compound Identification
SMILES
COC(=O)C1C(NC(C(C(=O)C2=CC=CC=C2)S1(=O)=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=QIIJMASZECWPDG-UHFFFAOYSA-N
Formula
C25H23NO5S
Mass
449.52
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
Phenylthiomorpholines Thiomorpholine carboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aralkylamines Beta-amino ketones Sulfones Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylthiomorpholine - Thiomorpholine-2-carboxylic acid - Benzoyl - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - 1,4-thiazinane - Methyl ester - Sulfone - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - 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