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

Systemtic Name: ethyl (2R)-1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate Openeye Name: ethyl (2R)-1,4-bis(p-tolylsulfonyl)piperazine-2-carboxylate CAS Name: (2R)-1,4-bis-(4-methylphenyl)sulfonyl-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: (2R)-1,4-ditosylpiperazine-2-carboxylic acid ethyl ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O6S2/c1-4-29-21(24)20-15-22(30(25,26)18-9-5-16(2)6-10-18)13-14-23(20)31(27,28)19-11-7-17(3)8-12-19/h5-12,20H,4,13-15H2,1-3H3/t20-/m1/s1