Compound Identification
SMILES
BrC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NCC1CCN(C1)C(=O)C1CCN(CC1)C1=CC=NC=C1
InChIKey
InChIKey=MLNUGSQTCLAIMF-UHFFFAOYSA-N
Formula
C26H29BrN4O3S
Mass
557.51
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 Piperidinecarboxamides N-acylpyrrolidines Dialkylarylamines Aminopyridines and derivatives Organosulfonamides Aryl bromides Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Piperidinecarboxamide - N-acylpyrrolidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Piperidine - Pyridine - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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