[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [5-(benzofuran-2-yl)isoxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [5-(2-benzofuranyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [5-(benzofuran-2-yl)isoxazol-3-yl]methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NOC(=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NOC(=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N2O6S/c1-28(23,24)21-8-6-13(7-9-21)19(22)25-12-15-11-18(27-20-15)17-10-14-4-2-3-5-16(14)26-17/h2-5,10-11,13H,6-9,12H2,1H3