Compound Identification
SMILES
COC1=CC(C(=O)C2=CN(N=C2)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)=C(O)C=C1
InChIKey
InChIKey=RSMHLUQWKDDYOU-UHFFFAOYSA-N
Formula
C20H19N3O6S
Mass
429.45
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
Benzoyl derivatives
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Level 5
Benzoylpyrazoles
- Level 6 N-benzoylpyrazoles
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Level 5
Benzoylpyrazoles
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Benzoylpyrazoles
Direct Parent
N-benzoylpyrazoles
Alternative Parents
Aryl-phenylketones Methoxyphenols Benzenesulfonamides 4-alkoxyphenols Benzoic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Organosulfonamides Vinylogous acids Pyrazoles Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzoylpyrazole - Aryl-phenylketone - Benzenesulfonamide - Methoxyphenol - 4-alkoxyphenol - Benzenesulfonyl group - Benzoic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Azole - Heteroaromatic compound - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous acid - Sulfonyl - Aminosulfonyl compound - Ketone - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzoylpyrazoles. These are aromatic heterocyclic compounds containing a pyrazole ring that is N-substituted at the 1-position by a benzoyl group.
External Descriptors
Not available