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

Systemtic Name: 2-[6-cyano-2-methyl-3-[[2-(phenylsulfonyl)phenyl]methyl]indolizin-1-yl]ethanoic acid Openeye Name: 2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-6-cyano-2-methyl-indolizin-1-yl]acetic acid CAS Name: 2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-6-cyano-2-methyl-1-indolizinyl]acetic acid IUPAC Name: 2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-6-cyano-2-methylindolizin-1-yl]acetic acid Traditional Name: 2-[3-(2-besylbenzyl)-6-cyano-2-methyl-indolizin-1-yl]acetic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4S/c1-17-21(14-25(28)29)22-12-11-18(15-26)16-27(22)23(17)13-19-7-5-6-10-24(19)32(30,31)20-8-3-2-4-9-20/h2-12,16H,13-14H2,1H3,(H,28,29)