Compound Identification
SMILES
COCCNC1=NC(NC(C)C)=NC(NCC2CCC(CNS(=O)(=O)C3=CC=CC4=CC=CC=C34)CC2)=N1
InChIKey
InChIKey=SWXKVTVADMNSOB-UHFFFAOYSA-N
Formula
C27H39N7O3S
Mass
541.72
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 N-aliphatic s-triazines Organosulfonamides 1,3,5-triazines Heteroaromatic compounds Aminosulfonyl compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Organosulfonic acid amide - 1,3,5-triazine - Triazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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