3-(2-ethoxyphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-ethoxyphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(2-ethoxyphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-ethoxyphenyl)-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-ethoxyphenyl)-5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-o-phenetyl-1,2,4-oxadiazole Formula: C21H24N5O6S+ MolecularWeight: 474.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S/c1-2-31-19-9-4-3-8-18(19)21-22-20(32-23-21)15-24-10-12-25(13-11-24)33(29,30)17-7-5-6-16(14-17)26(27)28/h3-9,14H,2,10-13,15H2,1H3/p+1