(1-cyanoindolizin-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C23H23N3O5S/c24-15-21-19(16-25-10-2-1-3-22(21)25)17-31-23(27)9-6-18-4-7-20(8-5-18)32(28,29)26-11-13-30-14-12-26/h1-5,7-8,10,16H,6,9,11-14,17H2