Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(CNC(=O)C1=NN=C(CCCCNC2=CC=CC=N2)S1)NS(=O)(=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=NDZYFRHWTAPUIB-UHFFFAOYSA-N
Formula
C27H27F3N6O7S2
Mass
668.66
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 acids and derivatives 2-heteroaryl carboxamides Aminopyridines and derivatives Organosulfonamides Imidolactams Thiadiazoles Heteroaromatic compounds Alpha-halocarboxylic acids Aminosulfonyl compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Amines Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Aminopyridine - Pyridine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Alpha-halocarboxylic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-halocarboxylic acid or derivatives - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Amine - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxide - 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