Compound Identification
SMILES
COC1=CC=C(CC(=O)NCC2=NN=C(SCC(=O)NC3=C(Cl)C=CC(=C3)C(O)=O)N2C)C=C1
InChIKey
InChIKey=RMKFKYALONYXOD-UHFFFAOYSA-N
Formula
C22H22ClN5O5S
Mass
503.96
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
4-halobenzoic acids Halobenzoic acids Phenylacetamides Benzoic acids Anilides Benzoyl derivatives Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Triazoles Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Phenylacetamide - Anilide - Benzoic acid - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Aryl halide - 1,2,4-triazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organooxygen 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