Compound Identification
SMILES
NCCS(O)(=O)=O.OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CDCMUHGHLSNOGJ-UHFFFAOYSA-N
Formula
C23H30ClFN2O5S
Mass
501.01
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
Phenylpiperidines Phenylbutylamines Butyrophenones Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Gamma-amino ketones Tertiary alcohols Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Phenylpiperidine - Butyrophenone - Phenylbutylamine - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Gamma-aminoketone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Aryl chloride - Piperidine - Tertiary alcohol - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Primary amine - Primary aliphatic amine - Amine - Alcohol - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organosulfur compound - 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