1-(7-ethyl-1H-indol-3-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]ethanone Formula: C22H27N4O3S2+ MolecularWeight: 459.60478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H26N4O3S2/c1-3-16-5-4-6-18-19(14-24-22(16)18)20(27)15-30-21-8-7-17(13-23-21)31(28,29)26-11-9-25(2)10-12-26/h4-8,13-14,24H,3,9-12,15H2,1-2H3/p+1