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

Systemtic Name: 2-[(3-bromanyl-4-piperidin-1-yl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[[3-bromo-4-(1-piperidyl)-2-pyridyl]methylsulfinyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[3-bromo-4-(1-piperidinyl)-2-pyridinyl]methylsulfinyl]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(3-bromo-4-piperidin-1-ylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[(3-bromo-4-piperidino-2-pyridyl)methylsulfinyl]-6-methoxy-1H-benzimidazole Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=CC(=C3Br)N4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)S(=O)CC3=NC=CC(=C3Br)N4CCCCC4

InChI

InChI=1S/C19H21BrN4O2S/c1-26-13-5-6-14-15(11-13)23-19(22-14)27(25)12-16-18(20)17(7-8-21-16)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,22,23)