tert-butyl 3-oxidanylidene-2-(phenylsulfinyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-(phenylsulfinyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzenesulfinyl)-3-oxo-piperazine-1-carboxylate CAS Name: 2-(benzenesulfinyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfinyl)-3-oxopiperazine-1-carboxylate Traditional Name: 2-(benzenesulfinyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1S(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1S(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O4S/c1-15(2,3)21-14(19)17-10-9-16-12(18)13(17)22(20)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,16,18)