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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-ethylsulfonyl-4-(3-thienylmethyl)piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-(3-thiophenylmethyl)piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-(thiophen-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-esyl-4-(3-thenyl)piperazine; oxalic acid Formula: C13H20N2O6S2 MolecularWeight: 364.4377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CSC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CSC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H18N2O2S2.C2H2O4/c1-2-17(14,15)13-6-4-12(5-7-13)9-11-3-8-16-10-11;3-1(4)2(5)6/h3,8,10H,2,4-7,9H2,1H3;(H,3,4)(H,5,6)