Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1COC2=C(O1)C1=CN=C(C)N=C1C=C2
InChIKey
InChIKey=CCNBSCQXIJZSQO-CQSZACIVSA-N
Formula
C19H18N2O5S
Mass
386.42
Taxonomic Classification
Taxonomy Tree
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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
-
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 Quinazolines Benzo-1,4-dioxanes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Para dioxins Organosulfonic acid esters Heteroaromatic compounds Sulfonyls Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzo-1,4-dioxane - Benzodioxane - Quinazoline - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Alkyl aryl ether - Organosulfonic acid ester - Para-dioxin - Pyrimidine - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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