tert-butyl 4-[3-bromanyl-5-(1-fluoroethyloxy)phenyl]-2-(1-methylsulfonylethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-bromanyl-5-(1-fluoroethyloxy)phenyl]-2-(1-methylsulfonylethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-methylsulfonylethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-methylsulfonylethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-2-(1-methylsulfonylethyl)-5-oxopiperazine-1-carboxylate Traditional Name: 4-[3-bromo-5-(1-fluoroethoxy)phenyl]-5-keto-2-(1-mesylethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28BrFN2O6S MolecularWeight: 523.413523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)Br)OC(C)F)S(=O)(=O)C

Isomeric SMILES

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)Br)OC(C)F)S(=O)(=O)C

InChI

InChI=1S/C20H28BrFN2O6S/c1-12(31(6,27)28)17-10-23(15-7-14(21)8-16(9-15)29-13(2)22)18(25)11-24(17)19(26)30-20(3,4)5/h7-9,12-13,17H,10-11H2,1-6H3