(5-methyl-1,2-oxazol-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid (5-methylisoxazol-3-yl)methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NOC(=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NOC(=C3)C)C)C

InChI

InChI=1S/C21H28N2O5S/c1-13-10-14(2)17(5)20(16(13)4)29(25,26)23-8-6-18(7-9-23)21(24)27-12-19-11-15(3)28-22-19/h10-11,18H,6-9,12H2,1-5H3