Compound Identification
SMILES
CC1=CC(=C(C)C=C1)S(=O)(=O)N1CCC2(CCN(C2)C(=O)CCC(=O)C2=CC3=C(OCCCO3)C=C2)CC1
InChIKey
InChIKey=KLKPPHSSUQVDQO-UHFFFAOYSA-N
Formula
C29H36N2O6S
Mass
540.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Azaspirodecane derivatives Benzenesulfonamides Benzenesulfonyl compounds p-Xylenes Aryl alkyl ketones N-acylpyrrolidines Alkyl aryl ethers Piperidines Organosulfonamides Sulfonyls Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Azaspirodecane - Benzenesulfonamide - Benzenesulfonyl group - Aryl ketone - Aryl alkyl ketone - N-acylpyrrolidine - Xylene - P-xylene - Alkyl aryl ether - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Ketone - Carboxamide group - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available