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

Systemtic Name: 3-phenyl-5-[3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propyl]-1,2,4-oxadiazole Openeye Name: 5-[3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[3-(4-besylpiperazin-1-ium-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S/c26-29(27,19-10-5-2-6-11-19)25-16-14-24(15-17-25)13-7-12-20-22-21(23-28-20)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/p+1