Compound Identification
SMILES
COC1=CC2=C(CN([C@@H](CC3=CC=C(OCCN4CCCC4)C=C3)CO2)S(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=VSGFTYJFSJRYRY-SANMLTNESA-N
Formula
C30H36N2O5S
Mass
536.69
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
Benzoxazepines Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Organosulfonamides N-alkylpyrrolidines Sulfonyls Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Benzoxazepine - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - N-alkylpyrrolidine - Organosulfonic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Amine - Organic oxygen compound - 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