Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCCCS(O)(=O)=O.NS(=O)(=O)CC1=NOC2=CC=CC=C12

InChIKey

InChIKey=NWMKOOSQTZVETC-UHFFFAOYSA-N

Formula

C13H19N3O7S2

Mass

393.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

Molecular Framework

Not available

Substituents

Benzisoxazole - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Azole - Isoxazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Acetamide - Alkanesulfonic acid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.

External Descriptors

Not available

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