2-[6-cyano-3-[[2-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-cyano-3-[[2-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-3-[[2-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-cyano-3-[[2-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-1-indolizinyl]acetic acid IUPAC Name: 2-[6-cyano-3-[[2-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methylindolizin-1-yl]acetic acid Traditional Name: 2-[6-cyano-3-[2-(4-fluorophenyl)sulfonylbenzyl]-2-methyl-indolizin-1-yl]acetic acid Formula: C25H19FN2O4S MolecularWeight: 462.492763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=CC=CC=C3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=CC=CC=C3S(=O)(=O)C4=CC=C(C=C4)F

InChI

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