2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-(trifluoromethyl)pyridine CAS Name: 2-[6-(4-methylsulfonylphenyl)-7-spiro[3.4]octa-5,7-dienyl]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[6-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-(trifluoromethyl)pyridine Formula: C21H18F3NO2S MolecularWeight: 405.43333

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3NO2S/c1-28(26,27)16-6-3-14(4-7-16)17-11-20(9-2-10-20)12-18(17)19-8-5-15(13-25-19)21(22,23)24/h3-8,11-13H,2,9-10H2,1H3