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

Systemtic Name: 2-[1-(3-chloranyl-4-morpholin-4-ylsulfonyl-phenyl)sulfanyl-7-cyano-2-methyl-indolizin-3-yl]ethanoic acid Openeye Name: 2-[1-(3-chloro-4-morpholinosulfonyl-phenyl)sulfanyl-7-cyano-2-methyl-indolizin-3-yl]acetic acid CAS Name: 2-[1-[[3-chloro-4-(4-morpholinylsulfonyl)phenyl]thio]-7-cyano-2-methyl-3-indolizinyl]acetic acid IUPAC Name: 2-[1-(3-chloro-4-morpholin-4-ylsulfonylphenyl)sulfanyl-7-cyano-2-methylindolizin-3-yl]acetic acid Traditional Name: 2-[1-[(3-chloro-4-morpholinosulfonyl-phenyl)thio]-7-cyano-2-methyl-indolizin-3-yl]acetic acid Formula: C22H20ClN3O5S2 MolecularWeight: 505.9943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC(=CC2=C1SC3=CC(=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)C#N)CC(=O)O

Isomeric SMILES

CC1=C(N2C=CC(=CC2=C1SC3=CC(=C(C=C3)S(=O)(=O)N4CCOCC4)Cl)C#N)CC(=O)O

InChI

InChI=1S/C22H20ClN3O5S2/c1-14-18(12-21(27)28)26-5-4-15(13-24)10-19(26)22(14)32-16-2-3-20(17(23)11-16)33(29,30)25-6-8-31-9-7-25/h2-5,10-11H,6-9,12H2,1H3,(H,27,28)