1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylmorpholino]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O4S2/c1-14-11-20(12-15(2)25-14)18(22)13-26-17-7-6-16(10-19-17)27(23,24)21-8-4-3-5-9-21/h6-7,10,14-15H,3-5,8-9,11-13H2,1-2H3/t14-,15-/m1/s1