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

Systemtic Name: N,N-diethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-diethyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N,N-diethyl-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N,N-diethyl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N,N-diethyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C16H27N4O3S2+ MolecularWeight: 387.54058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H26N4O3S2/c1-4-19(5-2)16(21)13-24-15-7-6-14(12-17-15)25(22,23)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1