Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC1(C)OCC2(CCN(CC2)C2CNC2)O1

InChIKey

InChIKey=GVWPHYWWCLTSLI-UHFFFAOYSA-N

Formula

C19H30N2O5S

Mass

398.52

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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 - Azaspirodecane - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Toluene - Ketal - Piperidine - Sulfonyl - Meta-dioxolane - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azetidine - Acetal - Secondary aliphatic amine - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organopnictogen 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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