(2R,4S)-1-[(4-cyanophenyl)methylsulfonyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-[(4-cyanophenyl)methylsulfonyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-[(4-cyanophenyl)methylsulfonyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[(4-cyanophenyl)methylsulfonyl]-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-[(4-cyanophenyl)methylsulfonyl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-cyanobenzyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate Formula: C13H13N2O5S- MolecularWeight: 309.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)[O-])S(=O)(=O)CC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1[C@@H](CN([C@H]1C(=O)[O-])S(=O)(=O)CC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H14N2O5S/c14-6-9-1-3-10(4-2-9)8-21(19,20)15-7-11(16)5-12(15)13(17)18/h1-4,11-12,16H,5,7-8H2,(H,17,18)/p-1/t11-,12+/m0/s1