Compound Identification
SMILES
CNCCC[N+]1(C)CC[N+](C)(CCC2=CC3=C4C(=CC=CC4=C2)N(CC2=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]2C)C(O)=O)S3(=O)=O)CC1
InChIKey
InChIKey=XUHNRBQWTYGBII-LJYJTIHDSA-O
Formula
C33H47N5O6S
Mass
641.83
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 Carbapenems Alpha amino acids and derivatives Phenethylamines Benzothiazoles Pyrroline carboxylic acids N-methylpiperazines Aralkylamines Azepines Organosulfonamides Tetraalkylammonium salts Tertiary carboxylic acid amides Secondary alcohols Amino acids Azetidines Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Carbapenem - Alpha-amino acid or derivatives - 1,2-benzothiazole - Phenethylamine - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Aralkylamine - Azepine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Beta-lactam - Tetraalkylammonium salt - Pyrroline - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary alcohol - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic cation - 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