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

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H25N3O3S2/c1-14-5-4-8-19(12-14)17(21)13-24-16-7-6-15(11-18-16)25(22,23)20-9-2-3-10-20/h6-7,11,14H,2-5,8-10,12-13H2,1H3/t14-/m0/s1