Compound Identification
SMILES
COC(=O)N1C2CCC1C(C)(C2C1=CN=C(Cl)C=C1)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=CQKQOBQMCOPNEV-UHFFFAOYSA-N
Formula
C20H21ClN2O4S
Mass
420.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Epibatidine analogues
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Epibatidine analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epibatidine analogues
Alternative Parents
Pyrrolidinylpyridines Benzenesulfonyl compounds Pyrrolidine carboxylic acids 2-halopyridines Aryl chlorides Sulfones Methylcarbamates Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epibatidine-skeleton - Pyrrolidinylpyridine - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2-halopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Methylcarbamate - Heteroaromatic compound - Pyrrolidine - Sulfone - Sulfonyl - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.
External Descriptors
Not available