Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)NC1CCN(CC2=C(N)C=C3C=CN=C(N)C3=C2)C1=O

InChIKey

InChIKey=NKKBRPCGZZKXSN-UHFFFAOYSA-N

Formula

C25H25N5O4S

Mass

491.57

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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 - Alpha-amino acid or derivatives - Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aminopyridine - Pyridine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - N-alkylpyrrolidine - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Pyrrolidine - Tertiary carboxylic acid amide - Sulfonyl - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - 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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