Compound Identification
SMILES
COC1=CC=CC(CS(=O)C2=NC3=C(C=CC(=C3)[N+]([O-])=O)N2S(=O)(=O)C2=CC=CC=C2)=C1
InChIKey
InChIKey=ZXWBDPRRPXJZBE-UHFFFAOYSA-N
Formula
C21H17N3O6S2
Mass
471.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass Sulfinylbenzimidazoles
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Sulfinylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Sulfinylbenzimidazoles
Alternative Parents
Benzenesulfonamides Benzyl sulfoxides Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers N-substituted imidazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Sulfoxides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfinyl compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sulfinylbenzimidazole - Benzenesulfonamide - Benzyl sulfoxide - Benzenesulfonyl group - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Sulfonyl - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Sulfoxide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfinyl compound - Azacycle - Ether - Organic oxoazanium - Organosulfur compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
External Descriptors
Not available