2-[(5-bromanyl-3-methyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole

Systemtic Name: 2-[(5-bromanyl-3-methyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[[5-bromo-3-methyl-4-(1-piperidyl)-2-pyridyl]methylsulfinyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[5-bromo-3-methyl-4-(1-piperidinyl)-2-pyridinyl]methylsulfinyl]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(5-bromo-3-methyl-4-piperidin-1-ylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(5-bromo-3-methyl-4-piperidino-2-pyridyl)methylsulfinyl]-6-methoxy-1H-benzimidazole Formula: C20H23BrN4O2S MolecularWeight: 463.39122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)Br)N4CCCCC4

Isomeric SMILES

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)Br)N4CCCCC4

InChI

InChI=1S/C20H23BrN4O2S/c1-13-18(22-11-15(21)19(13)25-8-4-3-5-9-25)12-28(26)20-23-16-7-6-14(27-2)10-17(16)24-20/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,23,24)