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

Systemtic Name: 3-ethenyl-5-[methylsulfonyl(phenyl)amino]-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-(N-methylsulfonylanilino)-5-vinyl-benzamide CAS Name: 3-ethenyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(N-methylsulfonylanilino)benzamide IUPAC Name: 3-ethenyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(N-methylsulfonylanilino)benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-3-(N-mesylanilino)-5-vinyl-benzamide Formula: C34H34F3N3O4S MolecularWeight: 637.71167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H34F3N3O4S/c1-3-24-17-27(21-30(19-24)40(45(2,43)44)29-15-8-5-9-16-29)33(42)39-31(20-25-11-6-4-7-12-25)32(41)23-38-22-26-13-10-14-28(18-26)34(35,36)37/h3-19,21,31-32,38,41H,1,20,22-23H2,2H3,(H,39,42)/t31-,32+/m0/s1