Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)N1CCC[C@@H](C1)C(=O)N1CC[NH+](CC1)[C@H]1CCS(=O)(=O)C1

InChIKey

InChIKey=YDVTYRHZLFXRPE-HKUYNNGSSA-O

Formula

C21H29ClN3O4S

Mass

454.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoyl derivatives

Intermediate Tree Nodes

Not available

Direct Parent

1-benzoylpiperidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-benzoylpiperidine - 1-benzoylpiperidine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - 3-piperidinecarboxamide - Piperidinecarboxamide - Halobenzene - Chlorobenzene - N-alkylpiperazine - 1,4-diazinane - Piperidine - Aryl halide - Aryl chloride - Piperazine - Thiolane - Tertiary carboxylic acid amide - Sulfone - Quaternary ammonium salt - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.

External Descriptors

Not available

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