Compound Identification
SMILES
COC(=O)C1=C(C)N=C(C)C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=QJLKURFAZWHHJE-GEVKEYJPSA-N
Formula
C29H34N4O8S
Mass
598.67
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
Benzenesulfonamides Benzenesulfonyl compounds Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds N-alkylpiperazines Dicarboxylic acids and derivatives Organosulfonamides Methyl esters Enoate esters Sulfonyls Ketimines Amino acids and derivatives Trialkylamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Dihydropyridinecarboxylic acid derivative - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyridine - Piperazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Organic nitro compound - Carboxylic acid ester - Amino acid or derivatives - Ketimine - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Imine - Organic oxide - Organic oxygen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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