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

Systemtic Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C19H20N5O5S+ MolecularWeight: 430.4576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c25-24(26)16-7-4-8-17(13-16)30(27,28)23-11-9-22(10-12-23)14-18-20-19(21-29-18)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1