Compound Identification
SMILES
O=S(=O)(NC1=CC(OCCNC2=CC=NC=C2)=CC=C1)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=WXOGRNOPKAYBFY-UHFFFAOYSA-N
Formula
C23H21N3O3S
Mass
419.5
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 Sulfanilides Phenoxy compounds Phenol ethers Secondary alkylarylamines Aminopyridines and derivatives Alkyl aryl ethers Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Sulfanilide - Phenoxy compound - Phenol ether - Secondary aliphatic/aromatic amine - Aminopyridine - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - 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