Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C1=N[C@@H](CC2=CC=CC=C2)CO1
InChIKey
InChIKey=XNUNDNLTCKYHLB-NVQXNPDNSA-N
Formula
C27H27N3O3S
Mass
473.59
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
Direct Parent
P-toluenesulfonamides
Alternative Parents
3-alkylindoles Benzenesulfonamides Benzenesulfonyl compounds Substituted pyrroles Organosulfonamides Oxazolines Aminosulfonyl compounds Heteroaromatic compounds Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - 3-alkylindole - Indole - Benzenesulfonyl group - Indole or derivatives - Substituted pyrrole - Organosulfonic acid amide - Heteroaromatic compound - Oxazoline - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Imido ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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