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

Systemtic Name: [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [5-(4-methoxyphenyl)isoxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [5-(4-methoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [5-(4-methoxyphenyl)isoxazol-3-yl]methyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O6S/c1-24-16-5-3-13(4-6-16)17-11-15(19-26-17)12-25-18(21)14-7-9-20(10-8-14)27(2,22)23/h3-6,11,14H,7-10,12H2,1-2H3