3-phenyl-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[(4-besylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c24-27(25,17-9-5-2-6-10-17)23-13-11-22(12-14-23)15-18-20-19(21-26-18)16-7-3-1-4-8-16/h1-10H,11-15H2/p+1