Compound Identification
SMILES
C[C@H](O)C1C2SC(CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)=C(N2C1=O)C(=O)OCC=C
InChIKey
InChIKey=OCRLMKWXLJYCGY-KJMRSRLPSA-N
Formula
C22H20N2O6S2
Mass
472.53
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 Alpha amino acids and derivatives Benzothiazoles Thiazolecarboxylic acids and derivatives Penems Vinylogous thioesters Organosulfonamides Thiazolines Tertiary carboxylic acid amides Enoate esters Thioenol ethers Secondary alcohols Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - 1,2-benzothiazole - Penem - Thiazolecarboxylic acid or derivatives - Organosulfonic acid amide - Vinylogous thioester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Beta-lactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Thioenolether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Hemithioaminal - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - 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