Compound Identification
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NCCN1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=DYKBONIOFCQGPN-UHFFFAOYSA-N
Formula
C13H19N3O5S
Mass
329.37
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
Direct Parent
P-toluenesulfonamides
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Organosulfonamides Morpholines Aminosulfonyl compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitrotoluene - Nitroaromatic compound - Morpholine - Oxazinane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Dialkyl ether - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Ether - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors
Not available