tert-butyl (2S)-2-butan-2-yl-4-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-butan-2-yl-4-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-3-oxo-4-(p-tolylsulfonyl)-2-sec-butyl-piperazine-1-carboxylate CAS Name: (2S)-2-butan-2-yl-4-(4-methylphenyl)sulfonyl-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-butan-2-yl-4-(4-methylphenyl)sulfonyl-3-oxopiperazine-1-carboxylate Traditional Name: (2S)-3-keto-2-sec-butyl-4-tosyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)[C@H]1C(=O)N(CCN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H30N2O5S/c1-7-15(3)17-18(23)22(13-12-21(17)19(24)27-20(4,5)6)28(25,26)16-10-8-14(2)9-11-16/h8-11,15,17H,7,12-13H2,1-6H3/t15?,17-/m0/s1