Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC(CCNCCSC(=O)C1=CC=CC=C1)=NNC(=O)NC(C)(C)C
InChIKey
InChIKey=LAXRXXPNBKLTLO-UHFFFAOYSA-N
Formula
C25H36N4O5S2
Mass
536.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Thiobenzoic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids and derivatives Benzoyl derivatives Semicarbazones Sulfonyls Organosulfonic acids Thioesters Amino acids and derivatives Carbothioic S-esters Sulfenyl compounds Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Thiobenzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Toluene - Semicarbazone - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Semicarbazide - Carbothioic s-ester - Amino acid or derivatives - Thiocarboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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