Structure Information
Structure

Compound Identification

SMILES

O=C(C(CC1=CC=CC(=C1)C#N)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)N1CCN(CC1)C(=O)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=IEHIJZQKLVYAOM-UHFFFAOYSA-N

Formula

C35H30N4O4S

Mass

602.71

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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 - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzonitrile - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Carboxamide group - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur 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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