2-(5-ethyl-4-methyl-thiophen-2-yl)-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(5-ethyl-4-methyl-thiophen-2-yl)-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-(5-ethyl-4-methyl-2-thienyl)-5-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole CAS Name: 2-(5-ethyl-4-methyl-2-thiophenyl)-5-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(5-ethyl-4-methylthiophen-2-yl)-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Traditional Name: 2-(5-ethyl-4-methyl-2-thienyl)-5-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C23H31N4O3S2+ MolecularWeight: 475.64724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NN=C(O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C23H30N4O3S2/c1-5-20-17(4)14-21(31-20)23-25-24-22(30-23)15-26-10-12-27(13-11-26)32(28,29)19-8-6-18(7-9-19)16(2)3/h6-9,14,16H,5,10-13,15H2,1-4H3/p+1