ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C18H20FN3O6S MolecularWeight: 425.431303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18FN3O2S.C2H2O4/c17-14-4-6-16(7-5-14)23(21,22)20-11-9-19(10-12-20)13-15-3-1-2-8-18-15;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)