1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-prop-2-enylsulfanyl-benzimidazole

Systemtic Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-prop-2-enylsulfanyl-benzimidazole Openeye Name: 2-allylsulfanyl-1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-(prop-2-enylthio)benzimidazole IUPAC Name: 1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-prop-2-enylsulfanylbenzimidazole Traditional Name: 2-(allylthio)-1-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Formula: C21H24FN4O2S2+ MolecularWeight: 447.569263

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O2S2/c1-2-15-29-21-23-19-5-3-4-6-20(19)26(21)16-24-11-13-25(14-12-24)30(27,28)18-9-7-17(22)8-10-18/h2-10H,1,11-16H2/p+1