Compound Identification
SMILES
COC(=O)C1=C(NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C2=CN=CC=C2)C=C(OC)C=C1
InChIKey
InChIKey=XBYWRKHXBUTUMD-UHFFFAOYSA-N
Formula
C22H19N5O5S
Mass
465.48
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
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
Quinoxalines Pyridinesulfonamides Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aminopyrazines Organosulfonamides Imidolactams Heteroaromatic compounds Methyl esters Vinylogous amides Aminosulfonyl compounds Amino acids and derivatives Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoate ester - Pyridine-3-sulfonamide - Quinoxaline - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Alkyl aryl ether - Aminopyrazine - Pyrazine - Pyridine - Imidolactam - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available