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

Systemtic Name: ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N2O2S2.C2H2O4/c1-23-17-9-7-16(8-10-17)15-19-11-13-20(14-12-19)24(21,22)18-5-3-2-4-6-18;3-1(4)2(5)6/h2-10H,11-15H2,1H3;(H,3,4)(H,5,6)