Compound Identification
SMILES
COCCCN1CCOC2=C1C=C(CO[C@H]1CN([C@@H](CC(C)(C)C([O-])=N[N+]#N)C[C@@H]1C1=CC=C(COCCOC)C=C1)S(=O)(=O)C1=CC=C(C)C=C1)C=C2
InChIKey
InChIKey=CQMNLEYZTIOUCY-BKMBRMDVSA-N
Formula
C40H53N5O8S
Mass
763.95
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
Phenylpiperidines Benzenesulfonamides Benzomorpholines Benzoxazines Benzenesulfonyl compounds Benzylethers Dialkylarylamines Alkyl aryl ethers Organosulfonamides Sulfonyls Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Phenylpiperidine - Benzenesulfonamide - Benzomorpholine - Benzoxazine - Benzenesulfonyl group - Benzylether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Oxazinane - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Organic cation - 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