Structure Information
Structure

Compound Identification

SMILES

CCN(CC)S(=O)(=O)C1=CC(C(=O)OCC(=O)C(C#N)=C(C)N)=C(C=C1)N1CCCC1

InChIKey

InChIKey=HEEMMCXLQYBEQK-UHFFFAOYSA-N

Formula

C21H28N4O5S

Mass

448.54

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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

Aminobenzenesulfonamide - 1-phenylpyrrolidine - Benzoate ester - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Alpha,beta-unsaturated ketone - Aminosulfonyl compound - Acryloyl-group - Enone - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Ketone - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Enamine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - 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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