2-[6-cyano-3-[[2-fluoranyl-5-(phenylsulfonyl)phenyl]methyl]-2-methyl-indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-cyano-3-[[2-fluoranyl-5-(phenylsulfonyl)phenyl]methyl]-2-methyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[3-[[5-(benzenesulfonyl)-2-fluoro-phenyl]methyl]-6-cyano-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[3-[[5-(benzenesulfonyl)-2-fluorophenyl]methyl]-6-cyano-2-methyl-1-indolizinyl]acetic acid IUPAC Name: 2-[3-[[5-(benzenesulfonyl)-2-fluorophenyl]methyl]-6-cyano-2-methylindolizin-1-yl]acetic acid Traditional Name: 2-[3-(5-besyl-2-fluoro-benzyl)-6-cyano-2-methyl-indolizin-1-yl]acetic acid Formula: C25H19FN2O4S MolecularWeight: 462.492763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=C(C=CC(=C3)S(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C25H19FN2O4S/c1-16-21(13-25(29)30)23-10-7-17(14-27)15-28(23)24(16)12-18-11-20(8-9-22(18)26)33(31,32)19-5-3-2-4-6-19/h2-11,15H,12-13H2,1H3,(H,29,30)