(2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-cyanophenyl)sulfonyl-4-methoxy-pyrrolidine-2-carboxylate Formula: C13H13N2O5S- MolecularWeight: 309.31772

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5S/c1-20-10-6-12(13(16)17)15(8-10)21(18,19)11-4-2-9(7-14)3-5-11/h2-5,10,12H,6,8H2,1H3,(H,16,17)/p-1/t10-,12+/m0/s1