Structure Information
Structure

Compound Identification

SMILES

C[N+]1=C(\C=C\C=C\C=C2\NC3=C(C=C(C=C3)S([O-])(=O)=O)C2(C)C)C(C)(C)C2=C1C=CC(CN)=C2

InChIKey

InChIKey=LXBCWLNHCMLCEH-UHFFFAOYSA-N

Formula

C27H31N3O3S

Mass

477.62

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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 - Dihydroindole - 1-sulfo,2-unsubstituted aromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Enamine - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic cation - 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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