Compound Identification
SMILES
COC1=C([O-])C=CC(=C1)C(C)=NNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=WVTGQVWYFSCIQK-UHFFFAOYSA-N
Formula
C22H28N4O5S
Mass
460.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
-
Level 5
Tosyl compounds
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Tosyl compounds - P-toluenesulfonamides
Direct Parent
N,N-disubstituted p-toluenesulfonamides
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonamides N-piperazineacetamides Benzenesulfonyl compounds Methoxybenzenes Anisoles Phenoxy compounds Phenoxides N-alkylpiperazines Alkyl aryl ethers Organosulfonamides Quaternary ammonium salts Sulfonyls Trialkylamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - N-piperazineacetamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenoxide - N-alkylpiperazine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors
Not available