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

Systemtic Name: 2-phenyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-phenyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole CAS Name: 2-phenyl-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-phenyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-phenyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Formula: C17H19N4O3S2+ MolecularWeight: 391.48776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N4O3S2/c22-26(23,16-7-4-12-25-16)21-10-8-20(9-11-21)13-15-18-19-17(24-15)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2/p+1