Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C1=CN=C(NN=CC2=CC=C(O2)[N+]([O-])=O)N=C1N
InChIKey
InChIKey=TUENKOUNHBFVMT-UHFFFAOYSA-N
Formula
C16H14N6O6S
Mass
418.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Nitrofurans Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Sulfones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Hydrazones Organic oxoazanium compounds Primary amines Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Phenol ether - Methoxybenzene - 2-nitrofuran - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Furan - Sulfonyl - Sulfone - C-nitro compound - Organic nitro compound - Ether - Hydrazone - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - Organic salt - Hydrocarbon derivative - Amine - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available