N-tert-butyl-2-[4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetyl]piperazino]acetamide Formula: C21H33N5O4S2 MolecularWeight: 483.64782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H33N5O4S2/c1-21(2,3)23-18(27)15-24-10-12-25(13-11-24)20(28)16-31-19-7-6-17(14-22-19)32(29,30)26-8-4-5-9-26/h6-7,14H,4-5,8-13,15-16H2,1-3H3,(H,23,27)