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

Systemtic Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-methyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-methyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-methylphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-methylphenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]-4-methyl-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-16-8-9-18(17(14-16)15-22-28(26)21(5,6)7)23-10-12-24(13-11-23)19(25)27-20(2,3)4/h8-9,14-15H,10-13H2,1-7H3/b22-15+/t28-/m0/s1