2-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridinyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[5-[2-(tert-butylsulfamoyl)phenyl]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[5-[2-(tert-butylsulfamoyl)phenyl]-2-pyridyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-21(2,3)24-31(29,30)17-9-5-4-7-15(17)14-10-11-18(22-13-14)23-19(26)16-8-6-12-25(16)20(27)28/h4-5,7,9-11,13,16,24H,6,8,12H2,1-3H3,(H,27,28)(H,22,23,26)