3-(phenylsulfonylmethyl)-N-(2-piperazin-4-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-(phenylsulfonylmethyl)-N-(2-piperazin-4-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-(2-piperazin-4-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-[2-(1-piperazin-4-iumyl)ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-(2-piperazin-4-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(besylmethyl)-N-(2-piperazin-4-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Formula: C16H22N5O4S+ MolecularWeight: 380.44198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5O4S/c22-15(18-8-11-21-9-6-17-7-10-21)16-19-14(20-25-16)12-26(23,24)13-4-2-1-3-5-13/h1-5,17H,6-12H2,(H,18,22)/p+1