1-methyl-4-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Formula: C20H25N6O4S+ MolecularWeight: 445.5153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C20H24N6O4S/c1-14-5-3-4-6-16(14)20-22-18(30-23-20)13-25-7-9-26(10-8-25)31(28,29)15-11-17(19(21)27)24(2)12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,27)/p+1