Structure Information
Structure

Compound Identification

SMILES

NC1=NC=CN1C1=CC=C(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C=C1

InChIKey

InChIKey=JDXLYAHZYNUAKI-UHFFFAOYSA-N

Formula

C24H22ClN5O3S

Mass

495.98

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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 - Chloronaphthalene - 1-phenylimidazole - Alpha-amino acid or derivatives - N-alkylpiperazine - Aminoimidazole - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Primary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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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