1-[4-(phenylmethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C24H31N3O3S2 MolecularWeight: 473.65124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S2/c28-24(26-15-11-21(12-16-26)17-20-7-3-1-4-8-20)19-31-23-10-9-22(18-25-23)32(29,30)27-13-5-2-6-14-27/h1,3-4,7-10,18,21H,2,5-6,11-17,19H2