Compound Identification
SMILES
CCC(C)C1=CC(=CC(=C1OC(=O)OC(C)C)[N+]([O-])=O)[N+]([O-])=O.COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(OC)=NC(C)=N1
InChIKey
InChIKey=APSWEEHAPSLCFO-UHFFFAOYSA-N
Formula
C28H33N7O13S
Mass
707.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
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Subclass
Sulfonylureas
- Level 5 S-triazinyl-2-sulfonylureas
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Subclass
Sulfonylureas
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Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Sulfonylureas
Intermediate Tree Nodes
Not available
Direct Parent
S-triazinyl-2-sulfonylureas
Alternative Parents
Benzenesulfonamides Benzoic acid esters Phenylpropanes Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds 2-methoxy-1,3,5-triazines Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Aminotriazines Carbonic acid diesters Organosulfonic acids and derivatives Heteroaromatic compounds Methyl esters Aminosulfonyl compounds Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Not available
Substituents
S-triazinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Phenylpropane - Nitrobenzene - Benzoic acid or derivatives - Phenoxy compound - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Nitroaromatic compound - Benzoyl - Alkyl aryl ether - Amino-1,3,5-triazine - Triazine - Benzenoid - Monocyclic benzene moiety - Carbonic acid diester - 1,3,5-triazine - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Carbonic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as s-triazinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a s-triazine ring which is substituted with a urea at the ring 2-position.
External Descriptors
Not available