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

Systemtic Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C=NS(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-19(2,3)26-18(24)23-13-11-22(12-14-23)17-10-8-7-9-16(17)15-21-27(25)20(4,5)6/h7-10,15H,11-14H2,1-6H3/b21-15+/t27-/m0/s1