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

Systemtic Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-prop-2-enylsulfanyl-benzimidazole Openeye Name: 2-allylsulfanyl-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-(prop-2-enylthio)benzimidazole IUPAC Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-prop-2-enylsulfanylbenzimidazole Traditional Name: 2-(allylthio)-1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole Formula: C21H24N5O4S2+ MolecularWeight: 474.57636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S2/c1-2-15-31-21-22-17-7-3-4-8-18(17)25(21)16-23-11-13-24(14-12-23)32(29,30)20-10-6-5-9-19(20)26(27)28/h2-10H,1,11-16H2/p+1