Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1CN(CC1C1=CC=CC(=C1)C#N)S(=O)(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=QNHLEJMCAGQAQS-UHFFFAOYSA-N

Formula

C19H17BrN2O4S

Mass

449.32

Export to:

JSON SDF CSV

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

3-phenylpyrrolidine - Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzonitrile - Bromobenzene - Halobenzene - Benzenoid - Organosulfonic acid amide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen 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

Previous Back Next