Compound Identification
SMILES
Cl.COC1=CC=CC=C1C(=O)C1CCCN(CC(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1
InChIKey
InChIKey=ZXQIHBHPSUJNST-UHFFFAOYSA-N
Formula
C22H27ClN2O5S
Mass
466.98
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
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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
Sulfanilides Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Piperidines Organosulfonamides Organic sulfonamides Beta-amino ketones Aminosulfonyl compounds Alpha-amino ketones Trialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Sulfanilide - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - Piperidine - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Beta-aminoketone - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Alpha-aminoketone - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen 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