Compound Identification
SMILES
[Cl-].C[C@@H](O)[C@@H]1[C@H]2[C@H]3CCCC(N4C5=CC=CC6=C(CC[N+]78CC[N+](CC(N)=O)(CC7)CC8)C=CC(=C56)S4(=O)=O)C3=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=HXTNVUQFACNXIK-BXUWJZGTSA-N
Formula
C33H40ClN5O7S
Mass
686.22
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 Carbapenems N-piperazineacetamides Phenethylamines Benzothiazoles Isoindoles Pyrroline carboxylic acids Aralkylamines Azepines N-alkylpiperazines Organosulfonamides Tetraalkylammonium salts Tertiary carboxylic acid amides Carboxylic acid salts Azetidines Primary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic chloride salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - Carbapenem - Alpha-amino acid or derivatives - N-piperazineacetamide - 1,2-benzothiazole - Isoindole - Isoindole or derivatives - Phenethylamine - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Aralkylamine - Azepine - N-alkylpiperazine - Piperazine - 1,4-diazinane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Pyrroline - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Beta-lactam - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic chloride salt - Organic salt - Hydrocarbon derivative - Alcohol - Amine - Organic zwitterion - Organonitrogen compound - Organooxygen 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