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

Systemtic Name: N-cyclopropyl-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-4-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-4-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H24N5O4S2+ MolecularWeight: 474.57636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C21H23N5O4S2/c27-21(15-3-7-17(8-4-15)32(28,29)24-16-5-6-16)26-11-9-25(10-12-26)14-19-22-20(23-30-19)18-2-1-13-31-18/h1-4,7-8,13,16,24H,5-6,9-12,14H2/p+1