1-(2-azanylethanoyl)-5-(2-fluorophenyl)-4-(phenylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: 1-(2-azanylethanoyl)-5-(2-fluorophenyl)-4-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: 1-(2-aminoacetyl)-4-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylate CAS Name: 1-(2-amino-1-oxoethyl)-4-(benzenesulfonyl)-5-(2-fluorophenyl)-2-pyrrolidinecarboxylate IUPAC Name: 1-(2-aminoacetyl)-4-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylate Traditional Name: 4-besyl-5-(2-fluorophenyl)-1-glycyl-pyrrolidine-2-carboxylate Formula: C19H18FN2O5S- MolecularWeight: 405.420023

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1C(=O)[O-])C(=O)CN)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C(N(C1C(=O)[O-])C(=O)CN)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19FN2O5S/c20-14-9-5-4-8-13(14)18-16(28(26,27)12-6-2-1-3-7-12)10-15(19(24)25)22(18)17(23)11-21/h1-9,15-16,18H,10-11,21H2,(H,24,25)/p-1