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

Systemtic Name: 2-[6-cyano-2-methyl-3-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]indolizin-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-6-cyano-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[3-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-6-cyano-2-methyl-1-indolizinyl]acetic acid IUPAC Name: 2-[3-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-6-cyano-2-methylindolizin-1-yl]acetic acid Traditional Name: 2-[3-[(1-besylpyrrol-2-yl)methyl]-6-cyano-2-methyl-indolizin-1-yl]acetic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-16-20(13-23(27)28)21-10-9-17(14-24)15-25(21)22(16)12-18-6-5-11-26(18)31(29,30)19-7-3-2-4-8-19/h2-11,15H,12-13H2,1H3,(H,27,28)