5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-fluoro-benzoic acid CAS Name: 5-[[4-[cyano-(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[4-[cyano-(4-fluorophenyl)methyl]piperazino]sulfonyl-2-fluoro-benzoic acid Formula: C19H17F2N3O4S MolecularWeight: 421.417786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H17F2N3O4S/c20-14-3-1-13(2-4-14)18(12-22)23-7-9-24(10-8-23)29(27,28)15-5-6-17(21)16(11-15)19(25)26/h1-6,11,18H,7-10H2,(H,25,26)