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

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C19H24N2O7S MolecularWeight: 424.46806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O7S/c1-25-16-5-4-14(10-18(16)26-2)17-11-15(20-28-17)12-27-19(22)13-6-8-21(9-7-13)29(3,23)24/h4-5,10-11,13H,6-9,12H2,1-3H3