N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)isoxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)-3-isoxazolyl]methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[[5-(2-methylcoumaran-6-yl)isoxazol-3-yl]methyl]isonipecotamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O5S/c1-13-9-15-3-4-16(10-18(15)27-13)19-11-17(22-28-19)12-21-20(24)14-5-7-23(8-6-14)29(2,25)26/h3-4,10-11,13-14H,5-9,12H2,1-2H3,(H,21,24)