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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Benzenoids Organic sulfonamides Organosulfonamides Aminosulfonyl compounds Alkanesulfonic acids Isoxazoles Heteroaromatic compounds Acetamides Organosulfonic acids Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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