(2R,4R)-N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-1-[(2R)-2-(methylsulfonylamino)-4-piperidin-4-yl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-1-[(2R)-2-(methylsulfonylamino)-4-piperidin-4-yl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-4-[(4-bromo-2-fluoro-phenyl)methoxy]-N-[(2,4-difluorophenyl)methyl]-1-[(2R)-2-(methanesulfonamido)-4-(4-piperidyl)butanoyl]pyrrolidine-2-carboxamide CAS Name: (2R,4R)-4-[(4-bromo-2-fluorophenyl)methoxy]-N-[(2,4-difluorophenyl)methyl]-1-[(2R)-2-(methanesulfonamido)-1-oxo-4-(4-piperidinyl)butyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-4-[(4-bromo-2-fluorophenyl)methoxy]-N-[(2,4-difluorophenyl)methyl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2R,4R)-4-(4-bromo-2-fluoro-benzyl)oxy-N-(2,4-difluorobenzyl)-1-[(2R)-2-(methanesulfonamido)-4-(4-piperidyl)butanoyl]pyrrolidine-2-carboxamide Formula: C29H36BrF3N4O5S MolecularWeight: 689.58415

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCC1CCNCC1)C(=O)N2CC(CC2C(=O)NCC3=C(C=C(C=C3)F)F)OCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CS(=O)(=O)N[C@H](CCC1CCNCC1)C(=O)N2C[C@@H](C[C@@H]2C(=O)NCC3=C(C=C(C=C3)F)F)OCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C29H36BrF3N4O5S/c1-43(40,41)36-26(7-2-18-8-10-34-11-9-18)29(39)37-16-23(42-17-20-3-5-21(30)12-24(20)32)14-27(37)28(38)35-15-19-4-6-22(31)13-25(19)33/h3-6,12-13,18,23,26-27,34,36H,2,7-11,14-17H2,1H3,(H,35,38)/t23-,26-,27-/m1/s1