Compound Identification
SMILES
CC1=CC=C(O1)\C=C1/CN(C2=CC(=CC(=C12)[N+]([O-])=O)[N+]([O-])=O)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=MUZSBQIMZMDCSL-OQLLNIDSSA-N
Formula
C21H17N3O7S
Mass
455.44
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 Indoles and derivatives Nitroaromatic compounds Organosulfonamides Sulfonyls Furans Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic zwitterions Organic oxides Organopnictogen compounds Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Indole or derivatives - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid amide - Furan - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organic salt - Aromatic heteropolycyclic 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