tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-methyl-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-methyl-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-methyl-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-methyl-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-methylpyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-6-methyl-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C=NS(=O)C(C)(C)C)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)/C=N/[S@@](=O)C(C)(C)C)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N4O3S/c1-15-8-9-16(14-21-28(26)20(5,6)7)17(22-15)23-10-12-24(13-11-23)18(25)27-19(2,3)4/h8-9,14H,10-13H2,1-7H3/b21-14+/t28-/m0/s1