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

Systemtic Name: 3-(4-fluorophenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-fluorophenyl)-5-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-fluorophenyl)-5-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-fluorophenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-fluorophenyl)-5-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C23H22FN4O3S+ MolecularWeight: 453.509183

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H21FN4O3S/c24-20-8-5-18(6-9-20)23-25-22(31-26-23)16-27-11-13-28(14-12-27)32(29,30)21-10-7-17-3-1-2-4-19(17)15-21/h1-10,15H,11-14,16H2/p+1