Compound Identification
SMILES
CN1C(CCNS(=O)(=O)C2=CC=C(C)C=C2)=CC=C1C(=O)CCC(O)=O
InChIKey
InChIKey=OBEJVWYKEJFDJG-UHFFFAOYSA-N
Formula
C18H22N2O5S
Mass
378.44
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
Benzenesulfonamides Benzenesulfonyl compounds Gamma-keto acids and derivatives Aryl alkyl ketones Organosulfonamides N-methylpyrroles Heteroaromatic compounds Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Keto acid - N-methylpyrrole - Substituted pyrrole - Organosulfonic acid amide - Heteroaromatic compound - Pyrrole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic 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