3-(phenylsulfonylmethyl)-N-[2-(pyridin-3-ylcarbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-(phenylsulfonylmethyl)-N-[2-(pyridin-3-ylcarbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(besylmethyl)-N-(2-nicotinamidoethyl)-1,2,4-oxadiazole-5-carboxamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C(=O)NCCNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=NOC(=N2)C(=O)NCCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H17N5O5S/c24-16(13-5-4-8-19-11-13)20-9-10-21-17(25)18-22-15(23-28-18)12-29(26,27)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,20,24)(H,21,25)