tert-butyl 2-(2-methylsulfonyloxyethyl)-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-methylsulfonyloxyethyl)-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-methylsulfonyloxyethyl)-5-oxo-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 2-(2-methylsulfonyloxyethyl)-5-oxo-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methylsulfonyloxyethyl)-5-oxo-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 5-keto-2-(2-methylsulfonyloxyethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25F3N2O6S MolecularWeight: 466.47181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCOS(=O)(=O)C)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCOS(=O)(=O)C)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H25F3N2O6S/c1-18(2,3)30-17(26)24-12-16(25)23(11-15(24)8-9-29-31(4,27)28)14-7-5-6-13(10-14)19(20,21)22/h5-7,10,15H,8-9,11-12H2,1-4H3