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

Systemtic Name: 2-(3-methylphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(m-tolyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole CAS Name: 2-(3-methylphenyl)-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(3-methylphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(m-tolyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H20N4O3S2/c1-14-4-2-5-15(12-14)18-20-19-16(25-18)13-21-7-9-22(10-8-21)27(23,24)17-6-3-11-26-17/h2-6,11-12H,7-10,13H2,1H3/p+1