Compound Identification
SMILES
OC(=O)[C@H](CNC(=O)C1=CC=C(CCC(=O)NC2=NCCCN2)C=C1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=BMJJWLBFIGFKFB-QHCPKHFHSA-N
Formula
C27H29N5O6S
Mass
551.62
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 acids and derivatives Benzamides Benzoyl derivatives Organosulfonamides Hydropyrimidines Aminosulfonyl 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 Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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