Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(Cl)C=C1)N1C(CNS(=O)(=O)C2=CC=CC3=CC=CC=C23)=NN=C1SCC1=CC=C(F)C=C1

InChIKey

InChIKey=IACCHIASHAHZOL-UHFFFAOYSA-N

Formula

C27H22ClFN4O2S2

Mass

553.07

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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

1-naphthalene sulfonic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Aryl thioether - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl fluoride - Aryl chloride - Monocyclic benzene moiety - Organosulfonic acid amide - Aryl halide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - 1,2,4-triazole - Triazole - Aminosulfonyl compound - Sulfonyl - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - 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

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