Structure Information
Structure

Compound Identification

SMILES

CCS(=O)(=O)NCCCC(C)(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=SMBNECVUGRPMQI-JIPUOCAHSA-N

Formula

C33H47N3O11S2

Mass

725.87

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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 heteropolycyclic compounds

Substituents

Phenylbutylamine - Amphetamine or derivatives - Benzodioxole - Furofuran - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Tetrahydrofuran - Sulfonyl - Carbonic acid derivative - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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