tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)C=NS(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)/C=N/[S@@](=O)C(C)(C)C

InChI

InChI=1S/C19H30N4O3S/c1-18(2,3)26-17(24)23-12-10-22(11-13-23)16-15(8-7-9-20-16)14-21-27(25)19(4,5)6/h7-9,14H,10-13H2,1-6H3/b21-14+/t27-/m0/s1