Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3CC4=CC=CC5=C(C[N+]67CC[N+](CC(=O)NCCN)(CC6)CC7)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=IYISIIUPGJAWHN-WSSIPFNWSA-P
Formula
C33H44N6O7S
Mass
668.81
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 Benzothiazines N-piperazineacetamides Pyrroline carboxylic acids Azepines Aralkylamines N-alkylpiperazines Organosulfonamides 1,2-thiazines Tertiary carboxylic acid amides Tetraalkylammonium salts Azetidines Secondary carboxylic acid amides Amino acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - Carbapenem - N-piperazineacetamide - Benzothiazine - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Aralkylamine - Azepine - N-alkylpiperazine - Piperazine - 1,4-diazinane - Ortho-thiazine - Organosulfonic acid amide - Tetraalkylammonium salt - Beta-lactam - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Pyrroline - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Azetidine - Amino acid or derivatives - Carboxamide group - Lactam - Amino acid - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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