methyl (2R)-1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate

Systemtic Name: methyl (2R)-1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate Openeye Name: methyl (2R)-1,4-bis(p-tolylsulfonyl)piperazine-2-carboxylate CAS Name: (2R)-1,4-bis-(4-methylphenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: (2R)-1,4-ditosylpiperazine-2-carboxylic acid methyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN([C@H](C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N2O6S2/c1-15-4-8-17(9-5-15)29(24,25)21-12-13-22(19(14-21)20(23)28-3)30(26,27)18-10-6-16(2)7-11-18/h4-11,19H,12-14H2,1-3H3/t19-/m1/s1