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

Systemtic Name: 4-[5-(5-fluoranylpyridin-2-yl)-3,3-bis(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Openeye Name: 4-[5-(5-fluoro-2-pyridyl)-3,3-bis(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide CAS Name: 4-[5-(5-fluoro-2-pyridinyl)-3,3-bis(trifluoromethyl)-1-cyclopenta-1,4-dienyl]benzenesulfonamide IUPAC Name: 4-[5-(5-fluoropyridin-2-yl)-3,3-bis(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Traditional Name: 4-[5-(5-fluoro-2-pyridyl)-3,3-bis(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide Formula: C18H11F7N2O2S MolecularWeight: 452.345962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F7N2O2S/c19-11-3-6-15(27-9-11)14-8-16(17(20,21)22,18(23,24)25)7-13(14)10-1-4-12(5-2-10)30(26,28)29/h1-9H,(H2,26,28,29)