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

Systemtic Name: 2-(furan-2-yl)-5-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(2-furyl)-1,3,4-oxadiazole Formula: C17H19N4O4S+ MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4O4S/c22-26(23,14-5-2-1-3-6-14)21-10-8-20(9-11-21)13-16-18-19-17(25-16)15-7-4-12-24-15/h1-7,12H,8-11,13H2/p+1