Compound Identification
SMILES
[NH4+].COC1=CC=C(CC(CC2=CC=C(NS([O-])(=O)=O)C=C2)(C2=NC(C)=NO2)C2=NC(C)=NO2)C=C1
InChIKey
InChIKey=COHVCZMXZLGQBZ-UHFFFAOYSA-N
Formula
C22H26N6O6S
Mass
502.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Sulfanilides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Sulfuric acid monoamides Quaternary ammonium salts 1,2,4-oxadiazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Amines Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Sulfanilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Sulfuric acid monoamide - Benzenoid - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Oxadiazole - Quaternary ammonium salt - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available