3-(4-fluorophenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-fluorophenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-fluorophenyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-fluorophenyl)-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-fluorophenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-fluorophenyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C17H18FN4O3S2+ MolecularWeight: 409.478223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17FN4O3S2/c18-14-5-3-13(4-6-14)17-19-15(25-20-17)12-21-7-9-22(10-8-21)27(23,24)16-2-1-11-26-16/h1-6,11H,7-10,12H2/p+1