N-[3-(4-cyano-2-fluoranyl-phenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

Systemtic Name: N-[3-(4-cyano-2-fluoranyl-phenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide Openeye Name: N-[3-(4-cyano-2-fluoro-phenoxy)phenyl]-N-(3-pyridylmethyl)ethanesulfonamide CAS Name: N-[3-(4-cyano-2-fluorophenoxy)phenyl]-N-(3-pyridinylmethyl)ethanesulfonamide IUPAC Name: N-[3-(4-cyano-2-fluorophenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide Traditional Name: N-[3-(4-cyano-2-fluoro-phenoxy)phenyl]-N-(3-pyridylmethyl)ethanesulfonamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC1=CN=CC=C1)C2=CC(=CC=C2)OC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCS(=O)(=O)N(CC1=CN=CC=C1)C2=CC(=CC=C2)OC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H18FN3O3S/c1-2-29(26,27)25(15-17-5-4-10-24-14-17)18-6-3-7-19(12-18)28-21-9-8-16(13-23)11-20(21)22/h3-12,14H,2,15H2,1H3