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

Systemtic Name: tert-butyl 4-[3-(fluoranylmethyl)-5-iodanyl-phenyl]-2-(1-methylsulfonylethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(fluoromethyl)-5-iodo-phenyl]-2-(1-methylsulfonylethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 4-[3-(fluoromethyl)-5-iodophenyl]-2-(1-methylsulfonylethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(fluoromethyl)-5-iodophenyl]-2-(1-methylsulfonylethyl)-5-oxopiperazine-1-carboxylate Traditional Name: 4-[3-(fluoromethyl)-5-iodo-phenyl]-5-keto-2-(1-mesylethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H26FIN2O5S MolecularWeight: 540.388013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)CF)I)S(=O)(=O)C

Isomeric SMILES

CC(C1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC(=C2)CF)I)S(=O)(=O)C

InChI

InChI=1S/C19H26FIN2O5S/c1-12(29(5,26)27)16-10-22(15-7-13(9-20)6-14(21)8-15)17(24)11-23(16)18(25)28-19(2,3)4/h6-8,12,16H,9-11H2,1-5H3