Compound Identification
SMILES
COC1=CC=C(CSC2=NNC(NS(=O)(=O)C3=CC=CC4=CC=CC=C34)=C2C2=CC=CC=N2)C=C1
InChIKey
InChIKey=XTDRPUABXZRTFK-UHFFFAOYSA-N
Formula
C26H22N4O3S2
Mass
502.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Pyrazolylpyridines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Pyrazoles Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - 2-pyrazolylpyridine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Organosulfonic acid amide - Pyridine - Monocyclic benzene moiety - Azole - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Ether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available