Compound Identification
SMILES
CCOC(=O)[C@@]1(CC(=O)SC2=CC=CC=C2)NS(=O)(=O)C2=C1C=CC1=CC=CC=C21
InChIKey
InChIKey=PMKXBRAUQAVTQC-QFIPXVFZSA-N
Formula
C22H19NO5S2
Mass
441.52
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 Naphthothiazoles Alpha amino acids and derivatives Thiophenol esters Benzothiazoles Aryl thioethers Fatty acid esters Organosulfonamides Benzene and substituted derivatives Carboxylic acid esters Carbothioic S-esters Thioesters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Naphthothiazole - Alpha-amino acid or derivatives - 1,2-benzothiazole - Thiophenol ester - Aryl thioether - Fatty acid ester - Monocyclic benzene moiety - Organosulfonic acid amide - Fatty acyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen 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