Compound Identification
SMILES
[Na+].[O-]C(=O)C1=CN=C(NCC2CCN(CC2)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)N=C1
InChIKey
InChIKey=VPZAWARGWNVCQY-UHFFFAOYSA-M
Formula
C21H21N4NaO4S
Mass
448.47
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Pyrimidinecarboxylic acids Aminopyrimidines and derivatives Piperidines Organosulfonamides Sulfonyls Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic sodium salts Organooxygen compounds Organic zwitterions Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Aminopyrimidine - Piperidine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic sodium salt - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available