Compound Identification
SMILES
COC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N[C@H]1CCN(CC2=CC=C(S2)C#N)C1=O
InChIKey
InChIKey=PUFIUTXMSULKFW-FQEVSTJZSA-N
Formula
C21H19N3O4S2
Mass
441.52
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 Anisoles 2,5-disubstituted thiophenes Alkyl aryl ethers Pyrrolidine-2-ones Organosulfonamides N-alkylpyrrolidines Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 2-naphthalene sulfonamide - Alpha-amino acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - 2,5-disubstituted thiophene - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Aminosulfonyl compound - Carboxamide group - Lactam - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organosulfur compound - Carbonyl group - 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