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

Systemtic Name: (4-methylsulfonylphenyl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C19H21N4O4S2+ MolecularWeight: 433.52444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C19H20N4O4S2/c1-29(25,26)16-4-2-14(3-5-16)19(24)23-9-7-22(8-10-23)12-17-20-18(21-27-17)15-6-11-28-13-15/h2-6,11,13H,7-10,12H2,1H3/p+1