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

Systemtic Name: methyl (2R,4S)-1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-4-pyrrolidin-1-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-pyrrolidin-1-yl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-pyrrolidin-1-ylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-4-pyrrolidino-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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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)N4CCCC4

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)N4CCCC4

InChI

InChI=1S/C22H25FN2O5S/c1-29-22(26)21-14-17(24-12-2-3-13-24)15-25(21)31(27,28)20-10-8-19(9-11-20)30-18-6-4-16(23)5-7-18/h4-11,17,21H,2-3,12-15H2,1H3/t17-,21+/m0/s1