(1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C20H19N3O4S/c1-14-6-8-17(9-7-14)28(25,26)22-15(2)20(24)27-13-16-12-23-10-4-3-5-19(23)18(16)11-21/h3-10,12,15,22H,13H2,1-2H3/t15-/m0/s1