2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoranyl-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoranyl-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoro-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoroanilino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluoro-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)F

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)O)F

InChI

InChI=1S/C22H26FN3O5S/c1-22(2,3)25-32(30,31)19-9-5-4-7-15(19)14-10-11-17(16(23)13-14)24-20(27)18-8-6-12-26(18)21(28)29/h4-5,7,9-11,13,18,25H,6,8,12H2,1-3H3,(H,24,27)(H,28,29)