1-[(2S)-2-methylpiperidin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-15-7-3-6-12-21(15)18(22)14-25-17-9-8-16(13-19-17)26(23,24)20-10-4-2-5-11-20/h8-9,13,15H,2-7,10-12,14H2,1H3/t15-/m0/s1