Compound Identification
SMILES
COC1(Cl)C(C)C(=NC=C1C)C(NC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C1=NC2=NNC(CCC3=C(C=CC(C)=C3)S(O)(=O)=O)=C2C=N1
InChIKey
InChIKey=AWFJOVZJGGZHMH-UHFFFAOYSA-N
Formula
C33H44ClN7O8S
Mass
734.27
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
Pyrazolo[3,4-d]pyrimidines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Toluenes Dihydropyridines Pyrimidines and pyrimidine derivatives Sulfonyls Pyrazoles Organosulfonic acids Carbamate esters Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Dihydropyridine - Toluene - Hydropyridine - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Pyrazole - Ketimine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Imine - Alkyl chloride - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic 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