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

Systemtic Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(4-chlorophenyl)isoxazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [3-(4-chlorophenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [3-(4-chlorophenyl)isoxazol-5-yl]methyl ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2O5S/c1-26(22,23)20-8-6-13(7-9-20)17(21)24-11-15-10-16(19-25-15)12-2-4-14(18)5-3-12/h2-5,10,13H,6-9,11H2,1H3