Compound Identification
SMILES
O=C(COC(=O)C1=CC=CC(=C1)C#N)C1=CC=C(C=C1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=IUMDTEVKWJIPMB-UHFFFAOYSA-N
Formula
C20H18N2O6S
Mass
414.43
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
Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Aryl alkyl ketones Benzonitriles Benzoyl derivatives Organosulfonamides Morpholines Sulfonyls Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonamide - Benzoate ester - Benzoic acid or derivatives - Benzenesulfonyl group - Benzonitrile - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Morpholine - Benzenoid - Organosulfonic acid amide - Oxazinane - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organosulfur compound - 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