N-(2-adamantyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-adamantyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C22H33N4O3S2+ MolecularWeight: 465.65242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H32N4O3S2/c1-25-4-6-26(7-5-25)31(28,29)19-2-3-21(23-13-19)30-14-20(27)24-22-17-9-15-8-16(11-17)12-18(22)10-15/h2-3,13,15-18,22H,4-12,14H2,1H3,(H,24,27)/p+1