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

Systemtic Name: 3-[methylsulfonyl(phenyl)amino]-N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-prop-1-en-2-yl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-3-isopropenyl-5-(N-methylsulfonylanilino)benzamide CAS Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-(1-methylethenyl)-5-(N-methylsulfonylanilino)benzamide IUPAC Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-(N-methylsulfonylanilino)-5-prop-1-en-2-ylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-isopropenyl-5-(N-mesylanilino)benzamide Formula: C35H36F3N3O4S MolecularWeight: 651.73825

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC(=C1)N(C2=CC=CC=C2)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)C(F)(F)F)O

Isomeric SMILES

CC(=C)C1=CC(=CC(=C1)N(C2=CC=CC=C2)S(=O)(=O)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNCC4=CC(=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C35H36F3N3O4S/c1-24(2)27-19-28(21-31(20-27)41(46(3,44)45)30-15-8-5-9-16-30)34(43)40-32(18-25-11-6-4-7-12-25)33(42)23-39-22-26-13-10-14-29(17-26)35(36,37)38/h4-17,19-21,32-33,39,42H,1,18,22-23H2,2-3H3,(H,40,43)/t32-,33+/m0/s1