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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C16H24N2O6S2 MolecularWeight: 404.50156

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2O2S2.C2H2O4/c1-3-20(17,18)16-10-8-15(9-11-16)12-13-4-6-14(19-2)7-5-13;3-1(4)2(5)6/h4-7H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)