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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-13-10-16(20-26-13)12-25-18(22)15-6-8-21(9-7-15)27(23,24)17-4-2-14(11-19)3-5-17/h2-5,10,15H,6-9,12H2,1H3