Compound Identification
SMILES
OCCNC(=O)C1=NN(C(=O)C1)C1=CC=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=RXXPANXSCOJJHK-UHFFFAOYSA-N
Formula
C12H13N3O6S
Mass
327.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds N-acylethanolamines Pyrazolones Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - N-acylethanolamine - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available