Compound Identification
SMILES
CCCCS(=O)(=O)NC(CCCC1=CC=CC(=C1)C(=O)C1CCC2(CCNCC2)CC1)C(O)=O
InChIKey
InChIKey=BFEVGLCNBVTXRF-UHFFFAOYSA-N
Formula
C26H40N2O5S
Mass
492.68
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
Phenylbutylamines Alpha amino acids and derivatives Azaspirodecane derivatives Medium-chain fatty acids Aryl alkyl ketones Benzoyl derivatives Heterocyclic fatty acids Piperidines Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylbutylamine - Alpha-amino acid or derivatives - Azaspirodecane - Benzoyl - Aryl alkyl ketone - Medium-chain fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Aromatic heteropolycyclic 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