[2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]methyl octanoate

Systemtic Name: [2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]methyl octanoate Openeye Name: [2-(2-pyridylmethylsulfinyl)benzimidazol-1-yl]methyl octanoate CAS Name: octanoic acid [2-(2-pyridinylmethylsulfinyl)-1-benzimidazolyl]methyl ester IUPAC Name: [2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]methyl octanoate Traditional Name: caprylic acid [2-(2-pyridylmethylsulfinyl)benzimidazol-1-yl]methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=CC=CC=N3

Isomeric SMILES

CCCCCCCC(=O)OCN1C2=CC=CC=C2N=C1S(=O)CC3=CC=CC=N3

InChI

InChI=1S/C22H27N3O3S/c1-2-3-4-5-6-14-21(26)28-17-25-20-13-8-7-12-19(20)24-22(25)29(27)16-18-11-9-10-15-23-18/h7-13,15H,2-6,14,16-17H2,1H3