ethanedioic acid; 1-ethylsulfonyl-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-ethylsulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-esyl-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C14H21N3O6S MolecularWeight: 359.39804

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19N3O2S.C2H2O4/c1-2-18(16,17)15-8-6-14(7-9-15)11-12-4-3-5-13-10-12;3-1(4)2(5)6/h3-5,10H,2,6-9,11H2,1H3;(H,3,4)(H,5,6)