Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCC1=C2C(SC=C2C2CCNCC2)=CC=C1

InChIKey

InChIKey=RAXALUUFGCQQJF-UHFFFAOYSA-N

Formula

C22H27NO3S2

Mass

417.58

Export to:

JSON SDF CSV

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 - Aralkylamine - Piperidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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

Previous Back Next