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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
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
2-naphthalene sulfonamides Alpha amino acid amides Nitroguanidines Organosulfonamides N-acyl amines Nitramines Aminosulfonyl compounds Secondary carboxylic acid amides Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Carboximidamides Carbonyl compounds Hydrocarbon derivatives Monoalkylboranes Organic oxides Organic zwitterions
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