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

Systemtic Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C18H20FN4O3S2+ MolecularWeight: 423.504803

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C18H19FN4O3S2/c19-14-4-6-15(7-5-14)28(24,25)23-9-2-8-22(10-11-23)13-17-20-18(21-26-17)16-3-1-12-27-16/h1,3-7,12H,2,8-11,13H2/p+1