tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-methylsulfonyloxyethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-methylsulfonyloxyethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-methylsulfonyloxyethyl)-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-(3-chlorophenyl)-2-(2-methylsulfonyloxyethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(3-chlorophenyl)-2-(2-methylsulfonyloxyethyl)-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-4-(3-chlorophenyl)-5-keto-2-(2-methylsulfonyloxyethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN2O6S MolecularWeight: 432.9189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCOS(=O)(=O)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C[C@@H]1CCOS(=O)(=O)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H25ClN2O6S/c1-18(2,3)27-17(23)21-12-16(22)20(14-7-5-6-13(19)10-14)11-15(21)8-9-26-28(4,24)25/h5-7,10,15H,8-9,11-12H2,1-4H3/t15-/m0/s1