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

Systemtic Name: 1-[(2S)-2-methylmorpholin-4-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methylmorpholin-4-yl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[(2S)-2-methyl-4-morpholinyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-methylmorpholin-4-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-methylmorpholino]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CN(CCO1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H25N3O4S2/c1-14-12-19(9-10-24-14)17(21)13-25-16-6-5-15(11-18-16)26(22,23)20-7-3-2-4-8-20/h5-6,11,14H,2-4,7-10,12-13H2,1H3/t14-/m0/s1