(2S)-N1-[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Systemtic Name: (2S)-N1-[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide Openeye Name: (2S)-N1-[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide CAS Name: (2S)-N1-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]pyrrolidine-1,2-dicarboxamide IUPAC Name: (2S)-1-N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide Traditional Name: (2S)-N-[5-(3-fluoro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide Formula: C17H19FN4O4S2 MolecularWeight: 426.485563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C17H19FN4O4S2/c1-9-14(10-5-6-13(11(18)8-10)28(2,25)26)27-16(20-9)21-17(24)22-7-3-4-12(22)15(19)23/h5-6,8,12H,3-4,7H2,1-2H3,(H2,19,23)(H,20,21,24)/t12-/m0/s1