methyl (2S)-1-methylsulfonyl-4-(phenylsulfonyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-methylsulfonyl-4-(phenylsulfonyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(benzenesulfonyl)-1-methylsulfonyl-piperazine-2-carboxylate CAS Name: (2S)-4-(benzenesulfonyl)-1-methylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(benzenesulfonyl)-1-methylsulfonylpiperazine-2-carboxylate Traditional Name: (2S)-4-besyl-1-mesyl-piperazine-2-carboxylic acid methyl ester Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O6S2/c1-21-13(16)12-10-14(8-9-15(12)22(2,17)18)23(19,20)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1