Structure Information
Structure

Compound Identification

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N[N+]([O-])=O)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)B(O)O

InChIKey

InChIKey=UBHCJMQRTJRATK-OALUTQOASA-N

Formula

C21H31BN6O7S

Mass

522.38

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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 homopolycyclic compounds

Substituents

2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitroguanidine - Fatty amide - N-acyl-amine - Fatty acyl - Organosulfonic acid amide - Nitramine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Boronic acid derivative - Boronic acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organic nitro compound - Organic metalloid salt - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic zwitterion - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Alkylborane - Organonitrogen compound - Monoalkylborane - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic 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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