Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzimidazoles

Alternative Parents

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

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