Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1

InChIKey

InChIKey=RUBFLDMZYDJKRY-UHFFFAOYSA-N

Formula

C25H27N3O6S2

Mass

529.63

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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 - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Thiazolidinedione - Toluene - Imidolactam - Pyridine - Thiazolidine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dicarboximide - Thiocarbamic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Aromatic heteromonocyclic 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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