Compound Identification
SMILES
OC(=O)C(CNC(=O)C1=NN=C(CCCCNC2=NCCN2)S1)NS(=O)(=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=CLOHJMNIADGHAQ-UHFFFAOYSA-N
Formula
C23H27N7O5S2
Mass
545.63
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
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Alpha amino acids and derivatives 2-heteroaryl carboxamides Imidazolyl carboxylic acids and derivatives Organosulfonamides Thiadiazoles Imidazolines Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Organic oxides Carbonyl compounds Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Imidazolyl carboxylic acid derivative - Organosulfonic acid amide - Azole - 2-imidazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Aminosulfonyl compound - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Guanidine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid - Carboximidamide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxide - 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