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

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C22H28N2O6S/c1-5-17-8-10-18(11-9-17)20(25)15(3)29-22(26)19-7-6-12-24(13-19)31(27,28)21-14(2)23-30-16(21)4/h8-11,15,19H,5-7,12-13H2,1-4H3