[(1S)-1-cyanoethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [(1S)-1-cyanoethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C)C#N)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)O[C@@H](C)C#N)O)C

InChI

InChI=1S/C16H20N2O5S/c1-10-4-5-14(6-11(10)2)24(21,22)18-9-13(19)7-15(18)16(20)23-12(3)8-17/h4-6,12-13,15,19H,7,9H2,1-3H3/t12-,13-,15-/m0/s1