4-[2-(4-methylsulfonylphenyl)-4,4-bis(trifluoromethyl)cyclopenten-1-yl]pyridine

Systemtic Name: 4-[2-(4-methylsulfonylphenyl)-4,4-bis(trifluoromethyl)cyclopenten-1-yl]pyridine Openeye Name: 4-[2-(4-methylsulfonylphenyl)-4,4-bis(trifluoromethyl)cyclopenten-1-yl]pyridine CAS Name: 4-[2-(4-methylsulfonylphenyl)-4,4-bis(trifluoromethyl)-1-cyclopentenyl]pyridine IUPAC Name: 4-[2-(4-methylsulfonylphenyl)-4,4-bis(trifluoromethyl)cyclopenten-1-yl]pyridine Traditional Name: 4-[2-(4-mesylphenyl)-4,4-bis(trifluoromethyl)cyclopenten-1-yl]pyridine Formula: C19H15F6NO2S MolecularWeight: 435.383319

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC(C2)(C(F)(F)F)C(F)(F)F)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC(C2)(C(F)(F)F)C(F)(F)F)C3=CC=NC=C3

InChI

InChI=1S/C19H15F6NO2S/c1-29(27,28)14-4-2-12(3-5-14)15-10-17(18(20,21)22,19(23,24)25)11-16(15)13-6-8-26-9-7-13/h2-9H,10-11H2,1H3