tert-butyl (2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[4-(2-pyrimidinylsulfamoyl)anilino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(2-pyrimidylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H25N5O5S/c1-20(2,3)30-19(27)25-13-4-6-16(25)17(26)23-14-7-9-15(10-8-14)31(28,29)24-18-21-11-5-12-22-18/h5,7-12,16H,4,6,13H2,1-3H3,(H,23,26)(H,21,22,24)/t16-/m0/s1