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

Systemtic Name: 2-(5-ethyl-4-methyl-thiophen-2-yl)-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazole CAS Name: 2-(5-ethyl-4-methyl-2-thiophenyl)-5-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazole Formula: C21H27N4O3S2+ MolecularWeight: 447.59408

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(O2)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H26N4O3S2/c1-3-18-16(2)13-19(29-18)21-23-22-20(28-21)14-24-9-11-25(12-10-24)30(26,27)15-17-7-5-4-6-8-17/h4-8,13H,3,9-12,14-15H2,1-2H3/p+1