1-(4-ethanoylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H24N4O4S2/c1-14(22)19-8-10-20(11-9-19)17(23)13-26-16-5-4-15(12-18-16)27(24,25)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3