Structure Information
Structure

Compound Identification

SMILES

CCNC1CCN(C1)C1=CC(OCC)=C(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)C=C1

InChIKey

InChIKey=NBBQPPLEIXHRJJ-UHFFFAOYSA-N

Formula

C27H35ClN6O3S

Mass

559.13

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylpyrrolidine - Aminophenyl ether - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halopyrimidine - Imidolactam - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

External Descriptors

Not available

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