Structure Information
Structure

Compound Identification

SMILES

CN1C=NC(=C1)C1=CC(F)=C(C=C1)N1CCC(N(OC=O)S(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C1=O

InChIKey

InChIKey=LEDXCYXQUOZUOA-UHFFFAOYSA-N

Formula

C25H20ClFN4O5S

Mass

542.97

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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 - Chloronaphthalene - 5-phenylimidazole - 4-phenylimidazole - 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Pyrrolidone - 2-pyrrolidone - Organic sulfonic acid or derivatives - Pyrrolidine - Pyrrole - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Azole - Aminosulfonyl compound - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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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