N-(4-sulfamoylphenyl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-sulfamoylphenyl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-sulfamoylphenyl)-4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-sulfamoylphenyl)-4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-sulfamoylphenyl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-sulfamoylphenyl)-4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C18H21N6O4S2+ MolecularWeight: 449.52714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H20N6O4S2/c19-30(26,27)15-3-1-14(2-4-15)20-18(25)24-8-6-23(7-9-24)11-16-21-17(22-28-16)13-5-10-29-12-13/h1-5,10,12H,6-9,11H2,(H,20,25)(H2,19,26,27)/p+1