(1-cyanoindolizin-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C20H18N2O4S/c1-15-5-7-17(8-6-15)27(24,25)11-9-20(23)26-14-16-13-22-10-3-2-4-19(22)18(16)12-21/h2-8,10,13H,9,11,14H2,1H3