ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(4-fluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C18H20FN3O6S MolecularWeight: 425.431303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18FN3O2S.C2H2O4/c17-15-1-3-16(4-2-15)23(21,22)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)