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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfonylmethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-(besylmethyl)-N-homoveratryl-1,2,4-oxadiazole-5-carboxamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)CS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H21N3O6S/c1-27-16-9-8-14(12-17(16)28-2)10-11-21-19(24)20-22-18(23-29-20)13-30(25,26)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)