Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.COC1=CC2=C(NC(C)=C2CCC2=NCCN2)C=C1

InChIKey

InChIKey=NFDYGBRZQRFULD-UHFFFAOYSA-N

Formula

C22H27N3O4S

Mass

429.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

p-Methylbenzenesulfonates

Alternative Parents

Molecular Framework

Not available

Substituents

P-methylbenzenesulfonate - 3-alkylindole - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Indole - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Substituted pyrrole - Imidolactam - 2-imidazoline - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organoheterocyclic compound - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Amidine - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.

External Descriptors

Not available

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