Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=C(NS(=O)(=O)C2=CC=C(N3CCCNCC3)C3=CC=CC=C23)C=CC(C)=C1

InChIKey

InChIKey=GQKCPDCECZCSQJ-UHFFFAOYSA-N

Formula

C23H28ClN3O3S

Mass

462.01

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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 - Sulfanilide - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - Dialkylarylamine - Phenol ether - Methoxybenzene - 1,4-diazepane - Toluene - Alkyl aryl ether - Diazepane - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary amine - Organoheterocyclic compound - Secondary amine - Ether - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Hydrochloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - 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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