(1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-15(2)21(24-30(27,28)18-9-7-16(3)8-10-18)22(26)29-14-17-13-25-11-5-4-6-20(25)19(17)12-23/h4-11,13,15,21,24H,14H2,1-3H3/t21-/m0/s1