Compound Identification
SMILES
CCOC(=O)[C@H]1CN(CC[C@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=STTFQSVTTQNZJS-VQTJNVASSA-N
Formula
C23H30N2O6S
Mass
462.56
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 Beta amino acids and derivatives Piperidinecarboxylic acids Organosulfonamides Carbamate esters Aminosulfonyl compounds Tertiary amines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Beta amino acid or derivatives - Piperidinecarboxylic acid - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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