Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N1C(=O)[C@@H]2SC3=C(SC(=O)N3)[C@H]([C@@H]2C1=O)C1=C(OCC(=O)NC2=CC=C(C=C2)S(N)(=O)=O)C=CC(Br)=C1
InChIKey
InChIKey=WQOYXPWISVTUJM-KYPHJKQUSA-N
Formula
C31H25BrN4O9S3
Mass
773.64
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
Phenylpyrrolidines Benzenesulfonamides Benzoic acid esters Anilides Benzenesulfonyl compounds Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Alkylarylthioethers Bromobenzenes Alkyl aryl ethers Thiopyrans N-substituted carboxylic acid imides Organosulfonamides Pyrrolidine-2-ones Aryl bromides Pyrroles Aminosulfonyl compounds Heteroaromatic compounds Dicarboximides Thiazoles Lactams Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Anilide - Phenoxy compound - Aryl thioether - Phenol ether - Benzoyl - N-arylamide - Alkyl aryl ether - Bromobenzene - Alkylarylthioether - Halobenzene - Thiopyran - Carboxylic acid imide, n-substituted - Aryl halide - Aryl bromide - Organosulfonic acid amide - Pyrrolidone - 2-pyrrolidone - Azole - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Aminosulfonyl compound - Thiazole - Sulfonyl - Pyrrole - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid ester - Thioether - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic 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