Structure Information
Structure

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

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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

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

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