Compound Identification
SMILES
CN\C(NCCSCC1=CSC(COS(=O)(=O)C2=CC=CC=C2)=N1)=C/[N+]([O-])=O
InChIKey
InChIKey=GXMHGIDAJAPUCZ-OQLLNIDSSA-N
Formula
C16H20N4O5S3
Mass
444.54
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 Benzenesulfonate esters
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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
Benzenesulfonate esters
Alternative Parents
Arylsulfonic acids and derivatives Benzenesulfonyl compounds 2,4-disubstituted thiazoles Organosulfonic acid esters Sulfonyls Heteroaromatic compounds C-nitro compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Organooxygen compounds Organic zwitterions Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-disubstituted 1,3-thiazole - Organosulfonic acid ester - Azole - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Thiazole - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Thioether - Dialkylthioether - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available