6-[3,3-diethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]pyridine-3-sulfonamide

Systemtic Name: 6-[3,3-diethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]pyridine-3-sulfonamide Openeye Name: 6-[3,3-diethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]pyridine-3-sulfonamide CAS Name: 6-[3,3-diethyl-5-[4-(trifluoromethyl)phenyl]-1-cyclopenta-1,4-dienyl]-3-pyridinesulfonamide IUPAC Name: 6-[3,3-diethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]pyridine-3-sulfonamide Traditional Name: 6-[3,3-diethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]pyridine-3-sulfonamide 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)S(=O)(=O)N)C3=CC=C(C=C3)C(F)(F)F)CC

Isomeric SMILES

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

InChI

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