Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]1CCN(CC2=CC=C(S2)C#N)C1=O

InChIKey

InChIKey=PUFIUTXMSULKFW-FQEVSTJZSA-N

Formula

C21H19N3O4S2

Mass

441.52

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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 sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Alpha-amino acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - 2,5-disubstituted thiophene - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Aminosulfonyl compound - Carboxamide group - Lactam - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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