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Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(Cl)C=C1)[NH+]1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=KPBRZGKBOOYOSS-UHFFFAOYSA-O

Formula

C21H22ClN2O2S

Mass

401.93

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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 - N-arylpiperazine - Phenylpiperazine - Aniline or substituted anilines - Aminotoluene - Halobenzene - Chlorobenzene - Toluene - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organosulfonic acid amide - Piperazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic cation - 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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