Compound Identification
SMILES
CC(C)(O)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(C)(=O)=O
InChIKey
InChIKey=NGNXPONIFKMDSD-UHFFFAOYSA-N
Formula
C12H17N3O4S
Mass
299.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Phenylpropanes Benzenesulfonyl compounds Benzoyl derivatives Acylguanidines Tertiary alcohols Sulfones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Benzoyl - Acylguanidine - Sulfone - Sulfonyl - Tertiary alcohol - Guanidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available