Compound Identification
SMILES
CC(C)[C@@H](O)[C@@](C)(NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=ZKGVHWKWMZUNJH-TZIWHRDSSA-N
Formula
C21H27NO5S
Mass
405.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
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Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
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Level 5
Tosyl compounds
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Tosyl compounds
Direct Parent
P-toluenesulfonamides
Alternative Parents
Benzyloxycarbonyls Benzenesulfonamides Alpha amino acids and derivatives Benzenesulfonyl compounds Fatty acid esters Beta hydroxy acids and derivatives Organosulfonamides Aminosulfonyl compounds Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzyloxycarbonyl - Benzenesulfonyl group - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Organosulfonic acid amide - Hydroxy acid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors
Not available