(1-cyanoindolizin-2-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C21H18ClN3O4S/c22-16-6-8-17(9-7-16)30(27,28)25-11-3-5-20(25)21(26)29-14-15-13-24-10-2-1-4-19(24)18(15)12-23/h1-2,4,6-10,13,20H,3,5,11,14H2/t20-/m0/s1