N-[6-butoxy-5-cyano-2-(3-fluoranyl-4-methoxy-phenyl)pyridin-3-yl]benzenesulfonamide

Systemtic Name: N-[6-butoxy-5-cyano-2-(3-fluoranyl-4-methoxy-phenyl)pyridin-3-yl]benzenesulfonamide Openeye Name: N-[6-butoxy-5-cyano-2-(3-fluoro-4-methoxy-phenyl)-3-pyridyl]benzenesulfonamide CAS Name: N-[6-butoxy-5-cyano-2-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]benzenesulfonamide IUPAC Name: N-[6-butoxy-5-cyano-2-(3-fluoro-4-methoxyphenyl)pyridin-3-yl]benzenesulfonamide Traditional Name: N-[6-butoxy-5-cyano-2-(3-fluoro-4-methoxy-phenyl)-3-pyridyl]benzenesulfonamide Formula: C23H22FN3O4S MolecularWeight: 455.501883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCCCOC1=NC(=C(C=C1C#N)NS(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C23H22FN3O4S/c1-3-4-12-31-23-17(15-25)14-20(27-32(28,29)18-8-6-5-7-9-18)22(26-23)16-10-11-21(30-2)19(24)13-16/h5-11,13-14,27H,3-4,12H2,1-2H3