Compound Identification
SMILES
CCOP(=O)(OCC)C(CNC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)NS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=ORIQPLGYOJEQFG-UHFFFAOYSA-N
Formula
C20H25N4O10PS
Mass
544.47
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
Benzenesulfonamides Benzamides Benzenesulfonyl compounds Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Dialkyl alkylphosphonates Phosphonic acid esters Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds Organophosphorus compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Dialkyl alkylphosphonate - Phosphonic acid diester - Phosphonic acid ester - Organosulfonic acid amide - Organophosphonic acid derivative - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic homomonocyclic 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