ethanedioic acid; 1-methylsulfonyl-4-(thiophen-2-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-(thiophen-2-ylmethyl)piperazine Openeye Name: 1-methylsulfonyl-4-(2-thienylmethyl)piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-(thiophen-2-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-(thiophen-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-mesyl-4-(2-thenyl)piperazine; oxalic acid Formula: C12H18N2O6S2 MolecularWeight: 350.41112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H16N2O2S2.C2H2O4/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10;3-1(4)2(5)6/h2-3,8H,4-7,9H2,1H3;(H,3,4)(H,5,6)