(1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-15(2)20(23-29(26,27)17-8-4-3-5-9-17)21(25)28-14-16-13-24-11-7-6-10-19(24)18(16)12-22/h3-11,13,15,20,23H,14H2,1-2H3/t20-/m0/s1