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

Systemtic Name: methyl (2R,4S)-4-azanyl-1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-amino-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-amino-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-amino-1-[4-(4-fluorophenoxy)phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-amino-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O5S/c1-25-18(22)17-10-13(20)11-21(17)27(23,24)16-8-6-15(7-9-16)26-14-4-2-12(19)3-5-14/h2-9,13,17H,10-11,20H2,1H3/t13-,17+/m0/s1