(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N3O5S/c1-13-18(14(2)27-21-13)12-26-19(23)16-7-9-22(10-8-16)28(24,25)17-5-3-15(11-20)4-6-17/h3-6,16H,7-10,12H2,1-2H3