Compound Identification
SMILES
COC1=CC=CC(CN(C(=O)CCN2C=C(C)C3=CC=CC=C23)S(C)(=O)=O)=C1OC
InChIKey
InChIKey=HZAQGSHXVURHML-UHFFFAOYSA-N
Formula
C22H26N2O5S
Mass
430.52
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
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Level 5
3-alkylindoles
- Level 6 3-methylindoles
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Level 5
3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
3-alkylindoles
Direct Parent
3-methylindoles
Alternative Parents
N-alkylindoles Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Substituted pyrroles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methylindole - N-alkylindole - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
External Descriptors
Not available