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

Systemtic Name: 4-[3,3-diethyl-5-[5-(trifluoromethyl)pyridin-2-yl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide Openeye Name: 4-[3,3-diethyl-5-[5-(trifluoromethyl)-2-pyridyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide CAS Name: 4-[3,3-diethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1-cyclopenta-1,4-dienyl]benzenesulfonamide IUPAC Name: 4-[3,3-diethyl-5-[5-(trifluoromethyl)pyridin-2-yl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide Traditional Name: 4-[3,3-diethyl-5-[5-(trifluoromethyl)-2-pyridyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide Formula: C21H21F3N2O2S MolecularWeight: 422.46385

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=C(C(=C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N)CC

Isomeric SMILES

CCC1(C=C(C(=C1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N)CC

InChI

InChI=1S/C21H21F3N2O2S/c1-3-20(4-2)11-17(14-5-8-16(9-6-14)29(25,27)28)18(12-20)19-10-7-15(13-26-19)21(22,23)24/h5-13H,3-4H2,1-2H3,(H2,25,27,28)