2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-1H-benzimidazole Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H20N4O2S2/c23-26(24,22-10-4-1-5-11-22)14-8-9-18(19-12-14)25-13-17-20-15-6-2-3-7-16(15)21-17/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,21)