Compound Identification
SMILES
CN1CC[C@H](C1)OC1=C(C=CC(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1)C(F)(F)F
InChIKey
InChIKey=FMQBEJUZGQNRDV-GOSISDBHSA-N
Formula
C22H21F3N2O3S
Mass
450.48
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 Trifluoromethylbenzenes Sulfanilides Phenoxy compounds Phenol ethers Alkyl aryl ethers Organosulfonamides N-alkylpyrrolidines Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Trifluoromethylbenzene - Sulfanilide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid amide - N-alkylpyrrolidine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Alkyl halide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alkyl fluoride - 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