Structure Information
Structure

Compound Identification

SMILES

[3H]C(CN)C([3H])C([3H])[C@H](NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C(O)=O

InChIKey

InChIKey=MEXPSSDDTCHYIU-AEETTXGSSA-N

Formula

C18H25N3O4S

Mass

385.5

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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 homopolycyclic compounds

Substituents

1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Amino fatty acid - Organosulfonic acid amide - Fatty acyl - Fatty acid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary aliphatic amine - Primary amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic homopolycyclic 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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