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

Systemtic Name: ethanedioic acid; 1-propylsulfonyl-4-(pyridin-4-ylmethyl)piperazine Openeye Name: oxalic acid; 1-propylsulfonyl-4-(4-pyridylmethyl)piperazine CAS Name: oxalic acid; 1-propylsulfonyl-4-(pyridin-4-ylmethyl)piperazine IUPAC Name: oxalic acid; 1-propylsulfonyl-4-(pyridin-4-ylmethyl)piperazine Traditional Name: oxalic acid; 1-propylsulfonyl-4-(4-pyridylmethyl)piperazine Formula: C15H23N3O6S MolecularWeight: 373.42462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2S.C2H2O4/c1-2-11-19(17,18)16-9-7-15(8-10-16)12-13-3-5-14-6-4-13;3-1(4)2(5)6/h3-6H,2,7-12H2,1H3;(H,3,4)(H,5,6)