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

Systemtic Name: 4-methyl-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-methyl-3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-methyl-3-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-methyl-3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H22N5O4S2+ MolecularWeight: 448.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C19H21N5O4S2/c1-13-4-5-14(30(20,26)27)11-15(13)19(25)24-8-6-23(7-9-24)12-17-21-18(22-28-17)16-3-2-10-29-16/h2-5,10-11H,6-9,12H2,1H3,(H2,20,26,27)/p+1