Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CN(CC2=C(OCC(O)=O)C=CC(Cl)=C2)CCN1S(=O)(=O)CC1=CC=CC=C1

InChIKey

InChIKey=FYBIPFSMDCQHGL-MRXNPFEDSA-N

Formula

C21H25ClN2O5S

Mass

452.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxyacetate - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Organosulfonic acid amide - Organic sulfonic acid amide - Piperazine - Aryl chloride - 1,4-diazinane - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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