(4-cyanophenyl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N3O5S/c1-13-18(14(2)27-21-13)28(24,25)22-9-3-4-17(11-22)19(23)26-12-16-7-5-15(10-20)6-8-16/h5-8,17H,3-4,9,11-12H2,1-2H3