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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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