[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: [1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxylic acid [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotic acid (2-keto-1-methyl-2-p-phenetyl-ethyl) ester Formula: C22H28N2O7S MolecularWeight: 464.53192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C22H28N2O7S/c1-5-29-19-8-6-17(7-9-19)20(25)15(3)30-22(26)18-10-12-24(13-11-18)32(27,28)21-14(2)23-31-16(21)4/h6-9,15,18H,5,10-13H2,1-4H3