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

Systemtic Name: ethanedioic acid; 1-(phenylsulfonyl)-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-besyl-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S.C2H2O4/c20-22(21,16-7-2-1-3-8-16)19-12-10-18(11-13-19)14-15-6-4-5-9-17-15;3-1(4)2(5)6/h1-9H,10-14H2;(H,3,4)(H,5,6)