Structure Information
Structure

Compound Identification

SMILES

COC1=NC=C(CN2CC3CN(CCN(CCOC4=CC=C(C=C4)C#N)S(C)(=O)=O)CC(C2)O3)C=C1

InChIKey

InChIKey=BTSHXCIIAHLBRC-UHFFFAOYSA-N

Formula

C25H33N5O5S

Mass

515.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol ethers

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

External Descriptors

Not available

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