Structure Information
Structure

Compound Identification

SMILES

CN(C\C(=N\OCCCS(C)(=O)=O)C(CCN1CCC(CC1)N1CCCCC1=O)C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1

InChIKey

InChIKey=VNPVPFKEORALML-NXKIGICWSA-N

Formula

C33H42Cl4N4O5S

Mass

748.58

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - 1,2-dichlorobenzene - Benzoyl - Halobenzene - Delta-lactam - Chlorobenzene - Piperidinone - Aralkylamine - Aryl chloride - Piperidine - Aryl halide - Sulfonyl - Sulfone - Tertiary carboxylic acid amide - Tertiary amine - Oxime ether - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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