2,5-bis(fluoranyl)-4-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenesulfonamide

Systemtic Name: 2,5-bis(fluoranyl)-4-[4-(2-oxidanyl-4-pyridin-3-yl-butoxy)phenyl]benzenesulfonamide Openeye Name: 2,5-difluoro-4-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzenesulfonamide CAS Name: 2,5-difluoro-4-[4-[2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzenesulfonamide IUPAC Name: 2,5-difluoro-4-[4-(2-hydroxy-4-pyridin-3-ylbutoxy)phenyl]benzenesulfonamide Traditional Name: 2,5-difluoro-4-[4-[2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzenesulfonamide Formula: C21H20F2N2O4S MolecularWeight: 434.456306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=CC(=C(C=C3F)S(=O)(=O)N)F)O

Isomeric SMILES

C1=CC(=CN=C1)CCC(COC2=CC=C(C=C2)C3=CC(=C(C=C3F)S(=O)(=O)N)F)O

InChI

InChI=1S/C21H20F2N2O4S/c22-19-11-21(30(24,27)28)20(23)10-18(19)15-4-7-17(8-5-15)29-13-16(26)6-3-14-2-1-9-25-12-14/h1-2,4-5,7-12,16,26H,3,6,13H2,(H2,24,27,28)