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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O2S2.C2H2O4/c1-24-19-9-7-17(8-10-19)15-20-11-13-21(14-12-20)25(22,23)16-18-5-3-2-4-6-18;3-1(4)2(5)6/h2-10H,11-16H2,1H3;(H,3,4)(H,5,6)