Compound Identification
SMILES
CCOC(=O)C1=C(C)C(N)=NC(COS(=O)(=O)C2=CC=C(C)C=C2)=N1
InChIKey
InChIKey=SFVFOMWGYGQJTE-UHFFFAOYSA-N
Formula
C16H19N3O5S
Mass
365.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Pyrimidinecarboxylic acids Arylsulfonic acids and derivatives Benzenesulfonyl compounds Aminopyrimidines and derivatives Organosulfonic acid esters Imidolactams Sulfonyls Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aminopyrimidine - Toluene - Pyrimidine - Imidolactam - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available