Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.NC(N)=NCCCCCCC(=O)NC1=CC=C(C=C1)S(N)(=O)=O
InChIKey
InChIKey=YXUCGLXKTDPLGE-UHFFFAOYSA-N
Formula
C21H31N5O6S2
Mass
513.63
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
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Benzenesulfonamides 1-sulfo,2-unsubstituted aromatic compounds Anilides Benzenesulfonyl compounds N-arylamides Organosulfonamides Fatty amides Aminosulfonyl compounds Organosulfonic acids Guanidines Secondary carboxylic acid amides Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Benzenesulfonamide - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anilide - N-arylamide - Toluene - Fatty acyl - Fatty amide - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available