Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1CC[N+](CC1)=C(N)N[N+]([O-])=O
InChIKey
InChIKey=ITCBQKIURGSDEL-UHFFFAOYSA-O
Formula
C12H18N5O4S
Mass
328.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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 Nitroguanidines Piperazines Organosulfonamides Sulfonyls Nitramines Carboximidamides Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Nitroguanidine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Nitramine - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Guanidine - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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