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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Tetrahydropyridines Pyrans Benzenoids Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Enamines Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary alcohols
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