Compound Identification
SMILES
CNC1=NC=C(C=C1)C#CC[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N(C)C1CCCC1
InChIKey
InChIKey=XQALQHQIKKIADV-VWLOTQADSA-N
Formula
C27H30N4O3S
Mass
490.62
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 Alpha amino acid amides Secondary alkylarylamines Aminopyridines and derivatives Organosulfonamides N-acyl amines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Aminosulfonyl compounds Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Aminopyridine - Secondary aliphatic/aromatic amine - N-acyl-amine - Pyridine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - 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