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

Systemtic Name: N-tert-butyl-2-[4-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N5O4S2+ MolecularWeight: 498.68234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H35N5O4S2/c1-22(2,3)24-19(28)16-25-11-13-26(14-12-25)21(29)17-32-20-8-7-18(15-23-20)33(30,31)27-9-5-4-6-10-27/h7-8,15H,4-6,9-14,16-17H2,1-3H3,(H,24,28)/p+1