Compound Identification
SMILES
[Cl-].C[C@@H](O)[C@@H]1[C@H]2SC(CN3C4=CC=CC5=C(CC[N+]67CC[N+](CC(N)=O)(CC6)CC7)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=YQDTXVHSLDVTBH-QPPTVEMYSA-N
Formula
C29H34ClN5O7S2
Mass
664.19
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 acid amides N-piperazineacetamides Benzothiazoles Phenethylamines Thiazolecarboxylic acids and derivatives Penems Aralkylamines N-alkylpiperazines Vinylogous thioesters Organosulfonamides Thiazolines Tetraalkylammonium salts Tertiary carboxylic acid amides Thioenol ethers Secondary alcohols Azetidines Primary carboxylic acid amides Carboxylic acid salts Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic chloride salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - 1,2-benzothiazole - Phenethylamine - Penem - Thiazolecarboxylic acid or derivatives - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Vinylogous thioester - Piperazine - Organosulfonic acid amide - Beta-lactam - Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Secondary alcohol - Thioenolether - Primary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Hemithioaminal - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic chloride salt - Organic zwitterion - Organic oxide - Alcohol - 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