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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C20H31N4O3S2+ MolecularWeight: 439.61514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCCC3=CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C20H30N4O3S2/c1-23-11-13-24(14-12-23)29(26,27)18-7-8-20(22-15-18)28-16-19(25)21-10-9-17-5-3-2-4-6-17/h5,7-8,15H,2-4,6,9-14,16H2,1H3,(H,21,25)/p+1