(1-cyanoindolizin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=CN4C=CC=CC4=C3C#N)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC3=CN4C=CC=CC4=C3C#N)O)C

InChI

InChI=1S/C23H23N3O5S/c1-15-6-7-19(9-16(15)2)32(29,30)26-13-18(27)10-22(26)23(28)31-14-17-12-25-8-4-3-5-21(25)20(17)11-24/h3-9,12,18,22,27H,10,13-14H2,1-2H3