3-[[3,4-bis(fluoranyl)phenyl]-methylsulfonyl-amino]-5-(2-oxidanylidenepyrrolidin-1-yl)-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-methylsulfonyl-amino]-5-(2-oxidanylidenepyrrolidin-1-yl)-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-(3,4-difluoro-N-methylsulfonyl-anilino)-5-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 3-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 3-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-(3,4-difluoro-N-mesyl-anilino)-5-(2-ketopyrrolidino)benzamide Formula: C36H35F5N4O5S MolecularWeight: 730.743916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=CC(=C(C=C1)F)F)C2=CC(=CC(=C2)N3CCCC3=O)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O

Isomeric SMILES

CS(=O)(=O)N(C1=CC(=C(C=C1)F)F)C2=CC(=CC(=C2)N3CCCC3=O)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNCC5=CC(=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C36H35F5N4O5S/c1-51(49,50)45(27-12-13-30(37)31(38)20-27)29-18-25(17-28(19-29)44-14-6-11-34(44)47)35(48)43-32(16-23-7-3-2-4-8-23)33(46)22-42-21-24-9-5-10-26(15-24)36(39,40)41/h2-5,7-10,12-13,15,17-20,32-33,42,46H,6,11,14,16,21-22H2,1H3,(H,43,48)/t32-,33+/m0/s1