Compound Identification
SMILES
CC1=C(NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C23)C=C(C=C1)S(=O)(=O)N1CCOCC1
InChIKey
InChIKey=YILABTKCNWKZMJ-UHFFFAOYSA-N
Formula
C22H22N4O7S
Mass
486.5
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
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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
Phthalazinones Benzenesulfonamides Anilides Benzenesulfonyl compounds N-arylamides Pyridazinones Organosulfonamides Morpholines Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Phthalazinone - Diazanaphthalene - Benzenesulfonamide - Phthalazine - Benzenesulfonyl group - Anilide - N-arylamide - Pyridazinone - Pyridazine - Organosulfonic acid amide - Morpholine - Oxazinane - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic nitrogen 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