dimethyl (1E,4E)-N1,N4-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate

Systemtic Name: dimethyl (1E,4E)-N1,N4-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate Openeye Name: dimethyl (1E,4E)-N1,N4-bis(p-tolylsulfonyl)piperazine-1,4-dicarboximidothioate CAS Name: (1E,4E)-N1,N4-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioic acid dimethyl ester IUPAC Name: dimethyl (1E,4E)-1-N,4-N-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate Traditional Name: (1E,4E)-N,N'-ditosylpiperazine-1,4-dicarboximidothioic acid dimethyl ester Formula: C22H28N4O4S4 MolecularWeight: 540.74212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCN(CC2)C(=NS(=O)(=O)C3=CC=C(C=C3)C)SC)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/SC)\N2CCN(CC2)/C(=N\S(=O)(=O)C3=CC=C(C=C3)C)/SC

InChI

InChI=1S/C22H28N4O4S4/c1-17-5-9-19(10-6-17)33(27,28)23-21(31-3)25-13-15-26(16-14-25)22(32-4)24-34(29,30)20-11-7-18(2)8-12-20/h5-12H,13-16H2,1-4H3/b23-21+,24-22+