methyl (2R,4R)-1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4R)-1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4R)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4R)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)O

Isomeric SMILES

COC(=O)[C@H]1C[C@H](CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)O

InChI

InChI=1S/C18H18FNO6S/c1-25-18(22)17-10-13(21)11-20(17)27(23,24)16-8-6-15(7-9-16)26-14-4-2-12(19)3-5-14/h2-9,13,17,21H,10-11H2,1H3/t13-,17-/m1/s1