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

Systemtic Name: 2-fluoranyl-4-[4-[(2R)-2-oxidanyl-4-pyridin-3-yl-butoxy]phenyl]benzenesulfonamide Openeye Name: 2-fluoro-4-[4-[(2R)-2-hydroxy-4-(3-pyridyl)butoxy]phenyl]benzenesulfonamide CAS Name: 2-fluoro-4-[4-[(2R)-2-hydroxy-4-(3-pyridinyl)butoxy]phenyl]benzenesulfonamide IUPAC Name: 2-fluoro-4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]benzenesulfonamide Traditional Name: 2-fluoro-4-[4-[(2R)-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=CC(=C(C=C3)S(=O)(=O)N)F)O

Isomeric SMILES

C1=CC(=CN=C1)CC[C@H](COC2=CC=C(C=C2)C3=CC(=C(C=C3)S(=O)(=O)N)F)O

InChI

InChI=1S/C21H21FN2O4S/c22-20-12-17(6-10-21(20)29(23,26)27)16-4-8-19(9-5-16)28-14-18(25)7-3-15-2-1-11-24-13-15/h1-2,4-6,8-13,18,25H,3,7,14H2,(H2,23,26,27)/t18-/m1/s1