[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesitylsulfonylisonipecotic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=NOC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=NOC=C3)C

InChI

InChI=1S/C20H25N3O6S/c1-13-10-14(2)19(15(3)11-13)30(26,27)23-7-4-16(5-8-23)20(25)28-12-18(24)21-17-6-9-29-22-17/h6,9-11,16H,4-5,7-8,12H2,1-3H3,(H,21,22,24)