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

Systemtic Name: 3-cyclopropyl-5-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-cyclopropyl-5-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-cyclopropyl-5-[[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-cyclopropyl-5-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-cyclopropyl-5-[(4-nosylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C16H20N5O5S+ MolecularWeight: 394.4255

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NOC(=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c22-21(23)13-3-5-14(6-4-13)27(24,25)20-9-7-19(8-10-20)11-15-17-16(18-26-15)12-1-2-12/h3-6,12H,1-2,7-11H2/p+1