tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30F3N3O3S MolecularWeight: 461.54141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30F3N3O3S/c1-19(2,3)30-18(28)27-11-9-26(10-12-27)17-8-7-16(21(22,23)24)13-15(17)14-25-31(29)20(4,5)6/h7-8,13-14H,9-12H2,1-6H3/b25-14+/t31-/m0/s1