ethyl 2-fluoranyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate

Systemtic Name: ethyl 2-fluoranyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate Openeye Name: ethyl 2-fluoro-3-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfonylphenyl)propanoate CAS Name: 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate Traditional Name: 2-fluoro-3-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-2-(4-mesylphenyl)propionic acid ethyl ester Formula: C31H32FNO6S2 MolecularWeight: 597.717283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)S(=O)(=O)C)C=CC=N3)(C4=CC=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)S(=O)(=O)C)C=CC=N3)(C4=CC=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C31H32FNO6S2/c1-6-39-29(34)31(32,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-33-28(23)27/h7-19H,6,20H2,1-5H3