ethanedioic acid; 2-[4-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[4-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]sulfonylbenzonitrile; oxalic acid CAS Name: 2-[[4-[3-(2-fluorophenoxy)-2-hydroxypropyl]-1-piperazinyl]sulfonyl]benzonitrile; oxalic acid IUPAC Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]sulfonylbenzonitrile; oxalic acid Traditional Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxy-propyl]piperazino]sulfonylbenzonitrile; oxalic acid Formula: C22H24FN3O8S MolecularWeight: 509.504663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22FN3O4S.C2H2O4/c21-18-6-2-3-7-19(18)28-15-17(25)14-23-9-11-24(12-10-23)29(26,27)20-8-4-1-5-16(20)13-22;3-1(4)2(5)6/h1-8,17,25H,9-12,14-15H2;(H,3,4)(H,5,6)