3-fluoranyl-4-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenesulfonamide Openeye Name: 3-fluoro-4-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzenesulfonamide CAS Name: 3-fluoro-4-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzenesulfonamide IUPAC Name: 3-fluoro-4-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]benzenesulfonamide Traditional Name: 3-fluoro-4-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzenesulfonamide Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)N)F)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)N)F)O

InChI

InChI=1S/C21H21FN2O4S/c22-21-12-19(29(23,26)27)9-10-20(21)16-4-7-18(8-5-16)28-14-17(25)6-3-15-2-1-11-24-13-15/h1-2,4-5,7-13,17,25H,3,6,14H2,(H2,23,26,27)