tert-butyl 4-[2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]-6-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]-6-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]-6-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]-6-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]-6-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-[(R)-tert-butylsulfinyl]iminomethyl]-6-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30FN3O3S MolecularWeight: 411.533903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2F)C=NS(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2F)/C=N/[S@](=O)C(C)(C)C

InChI

InChI=1S/C20H30FN3O3S/c1-19(2,3)27-18(25)24-12-10-23(11-13-24)17-15(8-7-9-16(17)21)14-22-28(26)20(4,5)6/h7-9,14H,10-13H2,1-6H3/b22-14+/t28-/m1/s1