Structure Information
Structure

Compound Identification

SMILES

CC1(C)C2=C(C=CC(CCO)=C2)N2CCC3OC4CC[N+]5=C(C4=CC3=C12)C(C)(C)C1=C5C=CC(=C1)S([O-])(=O)=O

InChIKey

InChIKey=BLXQNMPZAGQEIG-UHFFFAOYSA-N

Formula

C31H34N2O5S

Mass

546.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indoles

Intermediate Tree Nodes

Not available

Direct Parent

3-alkylindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Tetrahydropyridine - Pyran - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Dialkyl ether - Enamine - Ether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic salt - Amine - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

External Descriptors

Not available

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