6-(azepan-1-yl)-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: 6-(azepan-1-yl)-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: 6-(azepan-1-yl)-2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: 6-(1-azepanyl)-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: 6-(azepan-1-yl)-2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: 6-(azepan-1-yl)-2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C21H26N4O2S/c1-15-19(22-10-9-20(15)27-2)14-28(26)21-23-17-8-7-16(13-18(17)24-21)25-11-5-3-4-6-12-25/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,23,24)