2-[1-[(3-chloranyl-4-morpholin-4-ylsulfonyl-phenyl)methyl]-7-cyano-2-methyl-indolizin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(3-chloranyl-4-morpholin-4-ylsulfonyl-phenyl)methyl]-7-cyano-2-methyl-indolizin-3-yl]ethanoic acid Openeye Name: 2-[1-[(3-chloro-4-morpholinosulfonyl-phenyl)methyl]-7-cyano-2-methyl-indolizin-3-yl]acetic acid CAS Name: 2-[1-[[3-chloro-4-(4-morpholinylsulfonyl)phenyl]methyl]-7-cyano-2-methyl-3-indolizinyl]acetic acid IUPAC Name: 2-[1-[(3-chloro-4-morpholin-4-ylsulfonylphenyl)methyl]-7-cyano-2-methylindolizin-3-yl]acetic acid Traditional Name: 2-[1-(3-chloro-4-morpholinosulfonyl-benzyl)-7-cyano-2-methyl-indolizin-3-yl]acetic acid Formula: C23H22ClN3O5S MolecularWeight: 487.95588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC(=CC2=C1CC3=CC(=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)C#N)CC(=O)O

Isomeric SMILES

CC1=C(N2C=CC(=CC2=C1CC3=CC(=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)C#N)CC(=O)O

InChI

InChI=1S/C23H22ClN3O5S/c1-15-18(21-12-17(14-25)4-5-27(21)20(15)13-23(28)29)10-16-2-3-22(19(24)11-16)33(30,31)26-6-8-32-9-7-26/h2-5,11-12H,6-10,13H2,1H3,(H,28,29)