ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-fluorobenzyl)-4-(4-fluorophenyl)sulfonyl-piperazine; oxalic acid Formula: C19H20F2N2O6S MolecularWeight: 442.433706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18F2N2O2S.C2H2O4/c18-15-5-7-16(8-6-15)24(22,23)21-11-9-20(10-12-21)13-14-3-1-2-4-17(14)19;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)