Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1CCN(CCOC(=O)NC2=CC=C(F)C=C2)C(=O)CC1
InChIKey
InChIKey=DBOIRMRDVWDZMC-UHFFFAOYSA-N
Formula
C21H24FN3O5S
Mass
449.5
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
-
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
Phenylcarbamic acid esters Benzenesulfonamides Benzenesulfonyl compounds 1,4-diazepanes Fluorobenzenes Organosulfonamides Aryl fluorides Tertiary carboxylic acid amides Sulfonyls Carbamate esters Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Phenylcarbamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - 1,4-diazepane - Halobenzene - Fluorobenzene - Diazepane - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Carbamic acid ester - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - 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