Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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