Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)[C@@H]1[C@H]2SC(CN3C4=CC=CC5=C(CC[N+]67CC[N+](CC(N)=O)(CC6)CC7)C=CC(=C45)S3(=O)=O)=C(N2C1=O)C(O)=O

InChIKey

InChIKey=GMGJKVNKYAHBOX-NTPNDPJKSA-P

Formula

C29H35N5O7S2

Mass

629.75

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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 - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - 1,2-benzothiazole - Phenethylamine - Thiazolecarboxylic acid or derivatives - Penem - N-alkylpiperazine - Aralkylamine - Organosulfonic acid amide - Piperazine - 1,4-diazinane - Vinylogous thioester - Meta-thiazoline - Thiazole - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Beta-lactam - Organosulfonic acid or derivatives - Quaternary ammonium salt - Azetidine - Carboxamide group - Lactam - Thioenolether - Primary carboxylic acid amide - Secondary alcohol - Hemithioaminal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carboxylic acid - Alcohol - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic cation - 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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