Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CNC[C@@H](O)[C@H](CC2=CC(F)=CC(F)=C2)NC(=O)C2=CC(=CC(=C2)C(\C)=N\OCC=C)N(C2=CC=CC=C2)S(C)(=O)=O)=C1

InChIKey

InChIKey=MZMAATFSWMNCNR-XYVZZIOMSA-N

Formula

C37H40F2N4O6S

Mass

706.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylbutylamine - Amphetamine or derivatives - Sulfanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Amino acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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