O1-tert-butyl O2-methyl (2S)-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-piperazine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S)-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-piperazine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S)-6-oxo-4-(p-tolylsulfonyl)piperazine-1,2-dicarboxylate CAS Name: (2S)-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S)-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-1,2-dicarboxylate Traditional Name: (2S)-6-keto-4-tosyl-piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(N(C(=O)C2)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](N(C(=O)C2)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H24N2O7S/c1-12-6-8-13(9-7-12)28(24,25)19-10-14(16(22)26-5)20(15(21)11-19)17(23)27-18(2,3)4/h6-9,14H,10-11H2,1-5H3/t14-/m0/s1