Compound Identification
SMILES
COC(=O)C1=C(C)N=C(C)C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCC[NH+]1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=QJLKURFAZWHHJE-GEVKEYJPSA-O
Formula
C29H35N4O8S
Mass
599.68
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
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Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
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Level 5
Tosyl compounds
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Subclass
Toluenes
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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 Nitrobenzenes Nitroaromatic compounds Dihydropyridines N-alkylpiperazines Dicarboxylic acids and derivatives Organosulfonamides Methyl esters Enoate esters Quaternary ammonium salts Sulfonyls Ketimines Amino acids and derivatives Trialkylamines Organic oxoazanium compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Dihydropyridine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Hydropyridine - Piperazine - Organosulfonic acid amide - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ketimine - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic salt - Carbonyl group - Organonitrogen compound - Imine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Organic cation - 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