Compound Identification
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)OC1=C(C=NNC2=NC(=O)C(C)S2)C=CC=C1C
InChIKey
InChIKey=BCICZDFNYUJICJ-UHFFFAOYSA-N
Formula
C20H21N3O5S2
Mass
447.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Organosulfonic acid esters Thiazolines Sulfonyls N-acylimines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Meta-thiazoline - N-acylimine - Azacycle - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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