2-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(4-methoxyphenyl)-5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(4-methoxyphenyl)-5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C20H22N5O6S2+ MolecularWeight: 492.54858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S2/c1-23-9-11-24(12-10-23)33(28,29)16-7-8-18(17(13-16)25(26)27)32-20-22-21-19(31-20)14-3-5-15(30-2)6-4-14/h3-8,13H,9-12H2,1-2H3/p+1