Compound Identification
SMILES
OCCN(C(=O)C(S)CC(=O)C(O)=O)C1=CC=C(C=C1)C(=O)N1CCN(CCC2=CC=C(Cl)C=C2)CC1
InChIKey
InChIKey=BVIJLTWTEBDKDE-UHFFFAOYSA-N
Formula
C26H30ClN3O6S
Mass
548.05
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
Anilides Benzamides Phenethylamines Benzoyl derivatives Aralkylamines Thia fatty acids Chlorobenzenes Hydroxy fatty acids N-alkylpiperazines Alpha-keto acids and derivatives Aryl chlorides Alpha-hydroxy ketones Tertiary carboxylic acid amides Trialkylamines Amino acids Carboxylic acids Alkylthiols Azacyclic compounds Alkanolamines Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Phenethylamine - Benzamide - Anilide - Benzoyl - Hydroxy fatty acid - Halobenzene - Thia fatty acid - N-alkylpiperazine - Aralkylamine - Chlorobenzene - Keto acid - Alpha-keto acid - Fatty acyl - 1,4-diazinane - Aryl halide - Aryl chloride - Piperazine - Tertiary carboxylic acid amide - Alpha-hydroxy ketone - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ketone - Monocarboxylic acid or derivatives - Alkanolamine - Azacycle - Alkylthiol - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organic oxide - Alcohol - Amine - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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