1-(1H-indol-3-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(1H-indol-3-yl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]ethanone Formula: C20H23N4O3S2+ MolecularWeight: 431.55162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O3S2/c1-23-8-10-24(11-9-23)29(26,27)15-6-7-20(22-12-15)28-14-19(25)17-13-21-18-5-3-2-4-16(17)18/h2-7,12-13,21H,8-11,14H2,1H3/p+1