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

Systemtic Name: ethanedioic acid; 1-(furan-2-ylmethyl)-4-methylsulfonyl-piperazine Openeye Name: 1-(2-furylmethyl)-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-(2-furanylmethyl)-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-(furan-2-ylmethyl)-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(2-furfuryl)-4-mesyl-piperazine; oxalic acid Formula: C12H18N2O7S MolecularWeight: 334.34552

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CO2.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H16N2O3S.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)