Compound Identification
SMILES
COC1=CC=C(C=C1)N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)C1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=UUCZDDKWUROOQQ-UHFFFAOYSA-O
Formula
C21H27N4O6S
Mass
463.53
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
Alpha amino acids and derivatives Benzenesulfonamides Sulfanilides Benzenesulfonyl compounds Methoxyanilines Nitrobenzenes Nitrotoluenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers N-methylpiperazines Organosulfonamides Aminosulfonyl compounds Quaternary ammonium salts Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Nitrobenzene - Nitrotoluene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Tertiary carboxylic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Amine - Organic nitrogen compound - Organic salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - 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