ethanedioic acid; 1-[(4-fluorophenyl)methyl]-4-methylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(4-fluorophenyl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[(4-fluorophenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-fluorophenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-fluorobenzyl)-4-mesyl-piperazine; oxalic acid Formula: C14H19FN2O6S MolecularWeight: 362.373863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17FN2O2S.C2H2O4/c1-18(16,17)15-8-6-14(7-9-15)10-11-2-4-12(13)5-3-11;3-1(4)2(5)6/h2-5H,6-10H2,1H3;(H,3,4)(H,5,6)