Compound Identification
SMILES
CC1=CC=CC(CCN2CCC(COC2)C(=O)C2=CC=C(NS(C)(=O)=O)C=C2)=N1
InChIKey
InChIKey=QONZKRVZCIMDPV-UHFFFAOYSA-N
Formula
C21H27N3O4S
Mass
417.52
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
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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 Aryl alkyl ketones Benzoyl derivatives 1,3-oxazepines Methylpyridines Organosulfonamides Organic sulfonamides Gamma-amino ketones Aminosulfonyl compounds Heteroaromatic compounds Hemiaminals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Sulfanilide - Benzoyl - Aryl alkyl ketone - Meta-oxazepine - Methylpyridine - Monocyclic benzene moiety - Gamma-aminoketone - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Hemiaminal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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