4-[5-(6-fluoranylpyridin-3-yl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(6-fluoranylpyridin-3-yl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Openeye Name: 4-[5-(6-fluoro-3-pyridyl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide CAS Name: 4-[5-(6-fluoro-3-pyridinyl)-3,3-bis(hydroxymethyl)-1-cyclopenta-1,4-dienyl]benzenesulfonamide IUPAC Name: 4-[5-(6-fluoropyridin-3-yl)-3,3-bis(hydroxymethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Traditional Name: 4-[5-(6-fluoro-3-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=CN=C(C=C3)F)(CO)CO)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O4S/c19-17-6-3-13(9-21-17)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)