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

Systemtic Name: 3-(2-ethoxyphenyl)-5-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(2-ethoxyphenyl)-5-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-ethoxyphenyl)-5-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-ethoxyphenyl)-5-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-o-phenetyl-1,2,4-oxadiazole Formula: C22H26N5O6S+ MolecularWeight: 488.53674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O6S/c1-3-32-19-7-5-4-6-18(19)22-23-21(33-24-22)15-25-10-12-26(13-11-25)34(30,31)20-14-17(27(28)29)9-8-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3/p+1