3-(phenylsulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-(phenylsulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(besylmethyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-1,2,4-oxadiazole-5-carboxamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O4S/c28-22(23-25-21(26-31-23)17-32(29,30)20-7-3-1-4-8-20)24-15-18-9-11-19(12-10-18)16-27-13-5-2-6-14-27/h1,3-4,7-12H,2,5-6,13-17H2,(H,24,28)/p+1