ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]-4-tosyl-piperazine; oxalic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O2S2.C2H2O4/c1-16-3-9-19(10-4-16)25(22,23)21-13-11-20(12-14-21)15-17-5-7-18(24-2)8-6-17;3-1(4)2(5)6/h3-10H,11-15H2,1-2H3;(H,3,4)(H,5,6)