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

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3S2/c1-13(2)10-17-15(21)12-24-16-5-4-14(11-18-16)25(22,23)20-8-6-19(3)7-9-20/h4-5,11,13H,6-10,12H2,1-3H3,(H,17,21)/p+1