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

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(4-methoxyphenoxy)methyl]-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-[(4-methoxyphenoxy)methyl]-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H23N4O5S2+ MolecularWeight: 451.53972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O5S2/c1-26-15-4-6-16(7-5-15)27-14-17-20-18(28-21-17)13-22-8-10-23(11-9-22)30(24,25)19-3-2-12-29-19/h2-7,12H,8-11,13-14H2,1H3/p+1