3-nitro-N-propan-2-yl-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]benzenesulfonamide Formula: C20H25N6O5S2+ MolecularWeight: 493.5797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5S2/c1-14(2)23-33(29,30)15-5-6-16(17(12-15)26(27)28)25-9-7-24(8-10-25)13-19-21-20(22-31-19)18-4-3-11-32-18/h3-6,11-12,14,23H,7-10,13H2,1-2H3/p+1