Structure Information
Structure

Compound Identification

SMILES

CC(C)CS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCC1

InChIKey

InChIKey=DOWCTDGOUACYPA-UHFFFAOYSA-N

Formula

C22H35ClN4O3S

Mass

471.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Benzoyl - N-alkylpiperazine - Halobenzene - Cyclohexylamine - Chlorobenzene - Piperazine - N-acyl-amine - 1,4-diazinane - Vinylogous amide - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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