Compound Identification
SMILES
CC[C@@]1(CN(C[C@@H]1O)S(=O)(=O)C1=CC=C(C)C=C1)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=YAGUNWQLNYCXEN-LEWJYISDSA-N
Formula
C21H27NO5S
Mass
405.51
Taxonomic Classification
Taxonomy Tree
-
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
Phenylpyrrolidines Dimethoxybenzenes Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Organosulfonamides Sulfonyls Pyrroles Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - 3-phenylpyrrolidine - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - Pyrrole - Sulfonyl - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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