Compound Identification
SMILES
CCCCOCC(O)CN(C1=C(OC)C=CC(=C1)[N+]([O-])=O)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=QAMUVHVKNWEXLL-UHFFFAOYSA-N
Formula
C21H28N2O7S
Mass
452.52
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
Nitrophenyl ethers Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organonitrogen compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Nitrophenyl ether - Sulfanilide - Benzenesulfonamide - Methoxyaniline - Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - Phenol ether - Nitroaromatic compound - Anisole - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Secondary alcohol - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - Aromatic homomonocyclic 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