O1-tert-butyl O2-methyl (2S,3R)-3-methyl-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-piperazine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,3R)-3-methyl-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-piperazine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,3R)-3-methyl-6-oxo-4-(p-tolylsulfonyl)piperazine-1,2-dicarboxylate CAS Name: (2S,3R)-3-methyl-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,3R)-3-methyl-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-1,2-dicarboxylate Traditional Name: (2S,3R)-6-keto-3-methyl-4-tosyl-piperazine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

C[C@@H]1[C@H](N(C(=O)CN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C19H26N2O7S/c1-12-7-9-14(10-8-12)29(25,26)20-11-15(22)21(18(24)28-19(3,4)5)16(13(20)2)17(23)27-6/h7-10,13,16H,11H2,1-6H3/t13-,16+/m1/s1