ethanedioic acid; 1-ethylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-(4-fluorobenzyl)piperazine; oxalic acid Formula: C15H21FN2O6S MolecularWeight: 376.400443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19FN2O2S.C2H2O4/c1-2-19(17,18)16-9-7-15(8-10-16)11-12-3-5-13(14)6-4-12;3-1(4)2(5)6/h3-6H,2,7-11H2,1H3;(H,3,4)(H,5,6)