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

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C20H26FN4O3S2+ MolecularWeight: 453.573843

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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=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O3S2/c1-24-10-12-25(13-11-24)30(27,28)18-6-7-20(23-14-18)29-15-19(26)22-9-8-16-2-4-17(21)5-3-16/h2-7,14H,8-13,15H2,1H3,(H,22,26)/p+1