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

Systemtic Name: N-cyclopentyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-cyclopentyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCCC3

InChI

InChI=1S/C17H26N4O3S2/c1-20-8-10-21(11-9-20)26(23,24)15-6-7-17(18-12-15)25-13-16(22)19-14-4-2-3-5-14/h6-7,12,14H,2-5,8-11,13H2,1H3,(H,19,22)/p+1