2-[6-cyano-2-methyl-3-[[1-(4-propan-2-ylphenyl)sulfonylpyrrol-2-yl]methyl]indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-cyano-2-methyl-3-[[1-(4-propan-2-ylphenyl)sulfonylpyrrol-2-yl]methyl]indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-3-[[1-(4-isopropylphenyl)sulfonylpyrrol-2-yl]methyl]-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[6-cyano-2-methyl-3-[[1-(4-propan-2-ylphenyl)sulfonyl-2-pyrrolyl]methyl]-1-indolizinyl]acetic acid IUPAC Name: 2-[6-cyano-2-methyl-3-[[1-(4-propan-2-ylphenyl)sulfonylpyrrol-2-yl]methyl]indolizin-1-yl]acetic acid Traditional Name: 2-[6-cyano-2-methyl-3-[(1-p-cumenylsulfonylpyrrol-2-yl)methyl]indolizin-1-yl]acetic acid Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=CC=CN3S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=CC=CN3S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H25N3O4S/c1-17(2)20-7-9-22(10-8-20)34(32,33)29-12-4-5-21(29)13-25-18(3)23(14-26(30)31)24-11-6-19(15-27)16-28(24)25/h4-12,16-17H,13-14H2,1-3H3,(H,30,31)