Compound Identification
SMILES
[O-]S(=O)(=O)C1=CC=CC=C1.N#CC[N+]1(CC2=CC=CC=N2)CCCC1
InChIKey
InChIKey=OJPUAKBCOCCESD-UHFFFAOYSA-M
Formula
C18H21N3O3S
Mass
359.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds 2-pyridylmethylamines Aralkylamines N-alkylpyrrolidines Tetraalkylammonium salts Sulfonyls Organosulfonic acids Heteroaromatic compounds Alpha-aminonitriles Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - 2-pyridylmethylamine - Aralkylamine - Pyridine - N-alkylpyrrolidine - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrolidine - Quaternary ammonium salt - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-aminonitrile - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxide - Organic oxygen compound - Cyanide - Amine - Organosulfur compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available