N-(4-methylsulfonylphenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methylsulfonylphenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methylsulfonylphenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-methylsulfonylphenyl)-2-[(1-pentyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-methylsulfonylphenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-amylbenzimidazol-2-yl)thio]-N-(4-mesylphenyl)acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O3S2/c1-3-4-7-14-24-19-9-6-5-8-18(19)23-21(24)28-15-20(25)22-16-10-12-17(13-11-16)29(2,26)27/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,22,25)