Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C1=CC(OS(=O)(=O)C(F)(F)F)=CN=C1

InChIKey

InChIKey=KSCQQKJWYYTWFJ-UHFFFAOYSA-N

Formula

C16H22F3N3O5S

Mass

425.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic sulfonic acids and derivatives

Subclass

Organosulfonic acids and derivatives

Intermediate Tree Nodes

Alkanesulfonic acids and derivatives - Alkanesulfonic acids

Direct Parent

Trifluoromethanesulfonates

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Trifluoromethanesulfonate - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1,4-diazepane - Aminopyridine - Diazepane - Pyridine - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Sulfonyl - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Trihalomethane - Azacycle - Organoheterocyclic compound - Alkyl halide - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.

External Descriptors

Not available

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