Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCC1=C2C(SC=C2C2=CCNCC2)=CC=C1

InChIKey

InChIKey=DRGHWCGLCIEGPZ-UHFFFAOYSA-N

Formula

C22H25NO3S2

Mass

415.57

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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 - Benzothiophene - 1-benzothiophene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Hydropyridine - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Organosulfonic acid - Thiophene - Sulfonyl - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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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