Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC2=C(C=C(C=C2C(=O)NC2CN3CCC2CC3)S(C)(=O)=O)N2C=CC=C12

InChIKey

InChIKey=KCEUJFQCHMGNJK-UHFFFAOYSA-N

Formula

C22H27N3O4S

Mass

429.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Quinuclidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Quinuclidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Quinuclidine - Alkyl aryl ether - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Sulfonyl - Sulfone - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.

External Descriptors

Not available

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