Compound Identification
SMILES
OC(=O)C(F)(F)F.COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]1CCN(CC2=CC3=C(N2)C=CC=N3)C1=O
InChIKey
InChIKey=DCVXLCIPWIKDJU-BOXHHOBZSA-N
Formula
C25H23F3N4O6S
Mass
564.54
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 Pyrrolopyridines Anisoles Alkyl aryl ethers Substituted pyrroles Pyrrolidine-2-ones Pyridines and derivatives N-alkylpyrrolidines Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Tertiary carboxylic acid amides Alpha-halocarboxylic acids Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Not available
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Alpha-amino acid or derivatives - Pyrrolopyridine - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Substituted pyrrole - Organosulfonic acid amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Pyrrolidine - Aminosulfonyl compound - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic oxide - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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