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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 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-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-4-16-7-9-17(10-8-16)19(24)13-28-21(25)18-6-5-11-23(12-18)30(26,27)20-14(2)22-29-15(20)3/h7-10,18H,4-6,11-13H2,1-3H3