4-[5-(5-fluoranylpyridin-2-yl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(5-fluoranylpyridin-2-yl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Openeye Name: 4-[5-(5-fluoro-2-pyridyl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide CAS Name: 4-[5-(5-fluoro-2-pyridinyl)-3,3-bis(hydroxymethyl)-1-cyclopenta-1,4-dienyl]benzenesulfonamide IUPAC Name: 4-[5-(5-fluoropyridin-2-yl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Traditional Name: 4-[5-(5-fluoro-2-pyridyl)-3,3-dimethylol-cyclopenta-1,4-dien-1-yl]benzenesulfonamide Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(C=C2C3=NC=C(C=C3)F)(CO)CO)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC(C=C2C3=NC=C(C=C3)F)(CO)CO)S(=O)(=O)N

InChI

InChI=1S/C18H17FN2O4S/c19-13-3-6-17(21-9-13)16-8-18(10-22,11-23)7-15(16)12-1-4-14(5-2-12)26(20,24)25/h1-9,22-23H,10-11H2,(H2,20,24,25)