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

Systemtic Name: 2-[6-cyano-3-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-3-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-cyano-3-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methyl-1-indolizinyl]acetic acid IUPAC Name: 2-[6-cyano-3-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-2-methylindolizin-1-yl]acetic acid Traditional Name: 2-[6-cyano-3-[4-(4-fluorophenyl)sulfonylbenzyl]-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=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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