Compound Identification
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YJMXBGAUUIICJR-WUFINQPMSA-N
Formula
C32H38N6O9S
Mass
682.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-benzimidazolylcarbamic acid esters
Alternative Parents
Phenylbutylamines Nitrophenyl ethers Amphetamines and derivatives Nitrotoluenes Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Carbamate esters Heteroaromatic compounds Imidazoles Secondary alcohols Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - Nitrophenyl ether - Phenylbutylamine - Amphetamine or derivatives - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Azole - Imidazole - Aminosulfonyl compound - Carbamic acid ester - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Alcohol - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors
Not available