1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H27N3O4S2/c1-14-9-15(2)12-20(11-14)18(22)13-26-17-4-3-16(10-19-17)27(23,24)21-5-7-25-8-6-21/h3-4,10,14-15H,5-9,11-13H2,1-2H3/t14-,15-/m1/s1