Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1C[C@H]2C=CN1C21C(=O)OC(C)(C)OC1=O
InChIKey
InChIKey=TZQDGSSCIRRWMO-PUODRLBUSA-N
Formula
C18H19NO7S
Mass
393.41
Taxonomic Classification
Taxonomy Tree
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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 Alpha amino acids and derivatives Benzenesulfonyl compounds Arylsulfonic acids and derivatives Tetrahydropyridines Ketals Dicarboxylic acids and derivatives 1,3-dioxanes Organosulfonic acid esters Pyrrolidines Pyrrolines Sulfonyls Lactones Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Tetrahydropyridine - Ketal - Toluene - Meta-dioxane - Dicarboxylic acid or derivatives - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrroline - Pyrrolidine - Carboxylic acid ester - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen 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