ethanedioic acid; 1-methylsulfonyl-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-methylsulfonyl-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-methylsulfonyl-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-methylsulfonyl-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-methylsulfonyl-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-mesyl-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O2S.C2H2O4/c1-17(15,16)14-8-6-13(7-9-14)10-11-2-4-12-5-3-11;3-1(4)2(5)6/h2-5H,6-10H2,1H3;(H,3,4)(H,5,6)