Compound Identification
SMILES
COC1=CC=C(NC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=PWISRFSVGPEUBQ-UHFFFAOYSA-N
Formula
C22H27N3O6S
Mass
461.53
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
Phenylcarbamic acid esters Benzenesulfonamides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles 1,4-diazepanes Alkyl aryl ethers Organosulfonamides Tertiary carboxylic acid amides Sulfonyls Carbamate esters Lactams Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Phenylcarbamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1,4-diazepane - Alkyl aryl ether - Diazepane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbamic acid ester - Sulfonyl - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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