Compound Identification
SMILES
COCCN(CC(=O)OC(=O)[C@@H](N)CCCN=C(N)N)S(=O)(=O)C1=CC2=CC(OC)=C(OC)C=C2C=C1
InChIKey
InChIKey=KJBCQMOZULFVAB-SFHVURJKSA-N
Formula
C23H33N5O8S
Mass
539.6
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Alpha amino acids and derivatives Anisoles Alkyl aryl ethers Organosulfonamides Dicarboxylic acids and derivatives Aminosulfonyl compounds Carboxylic acid anhydrides Guanidines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Hydrocarbon derivatives Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Carboxylic acid anhydride - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Primary amine - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available