Structure Information
Structure

Compound Identification

SMILES

NC(=N)C1=CC(C[C@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N2CCN(CC2)C2=CC=C(F)C=C2)=CC=C1

InChIKey

InChIKey=HRDCWIULXIUBJL-NDEPHWFRSA-N

Formula

C30H30FN5O3S

Mass

559.66

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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 amide - Phenylpiperazine - N-arylpiperazine - Amphetamine or derivatives - Alpha-amino acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 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 - Amino acid or derivatives - Tertiary amine - Carboxamide group - Amidine - Carboximidamide - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Carboxylic acid derivative - Organosulfur compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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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