1-(3-methylpiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(3-methylpiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(3-methylpiperidino)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-15-6-5-9-20(13-15)18(22)14-25-17-8-7-16(12-19-17)26(23,24)21-10-3-2-4-11-21/h7-8,12,15H,2-6,9-11,13-14H2,1H3