Compound Identification
SMILES
CN(C)C(=O)CC1CN(CCN1C1=NC=C(C=N1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=C(C=C1)C=C(Cl)C=C2
InChIKey
InChIKey=YUBJQDMNQNUKBF-UHFFFAOYSA-N
Formula
C27H27ClN6O3S
Mass
551.06
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 N-arylpiperazines Beta amino acids and derivatives Chloronaphthalenes Dialkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Organosulfonamides Aryl chlorides Tertiary carboxylic acid amides Sulfonyls Heteroaromatic compounds Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - N-arylpiperazine - Chloronaphthalene - Beta amino acid or derivatives - Dialkylarylamine - Aminopyrimidine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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