Compound Identification
SMILES
COC(=O)C1=C(O)C(CCCCOS(=O)(=O)C2=CC=C(C)C=C2)=C(NC(C)=O)C=C1
InChIKey
InChIKey=SCWJVFSKSRFDAS-UHFFFAOYSA-N
Formula
C21H25NO7S
Mass
435.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
p-Methylbenzenesulfonates o-Hydroxybenzoic acid esters Benzenesulfonate esters Acetanilides Tosyl compounds Salicylic acid and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds N-acetylarylamines Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Organosulfonic acid esters Vinylogous acids Methyl esters Acetamides Sulfonyls Secondary carboxylic acid amides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - O-hydroxybenzoic acid ester - Benzenesulfonate ester - P-methylbenzenesulfonate - Acetanilide - Salicylic acid or derivatives - Benzoate ester - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - N-acetylarylamine - Benzenesulfonyl group - Anilide - Benzoyl - N-arylamide - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Organosulfonic acid ester - Vinylogous acid - Acetamide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available