1-[(3S)-3-methylpiperidin-1-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-14-3-2-6-19(12-14)17(21)13-25-16-5-4-15(11-18-16)26(22,23)20-7-9-24-10-8-20/h4-5,11,14H,2-3,6-10,12-13H2,1H3/t14-/m0/s1