Compound Identification
SMILES
[Na+].CCC1=NC2=C(C=CC=C2OCCCS(C)(=O)=O)N1C1=CC=CC2=C1OC[C@H]2NC1=CC2=C(C=C1)[C@H](CC([O-])=O)CO2
InChIKey
InChIKey=BNRPUUXWKDOYIQ-AQHBPOCSSA-M
Formula
C31H32N3NaO7S
Mass
613.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Coumarans Secondary alkylarylamines Alkyl aryl ethers Aralkylamines N-substituted imidazoles Benzenoids Sulfones Heteroaromatic compounds Amino acids Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Coumaran - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Sulfone - Sulfonyl - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Secondary amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic sodium salt - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available