(2S)-N-[1-cyano-2-(5-cyano-2-fluoranyl-phenyl)ethyl]-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-N-[1-cyano-2-(5-cyano-2-fluoranyl-phenyl)ethyl]-4-fluoranyl-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-N-[1-cyano-2-(5-cyano-2-fluoro-phenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-N-[1-cyano-2-(5-cyano-2-fluorophenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-N-[1-cyano-2-(5-cyano-2-fluorophenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-N-[1-cyano-2-(5-cyano-2-fluoro-phenyl)ethyl]-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]valeramide Formula: C31H29F5N4O3S MolecularWeight: 632.643976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC(CC1=C(C=CC(=C1)C#N)F)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)NC(CC1=C(C=CC(=C1)C#N)F)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F

InChI

InChI=1S/C31H29F5N4O3S/c1-30(2,33)16-27(29(41)39-24(18-38)15-23-14-19(17-37)4-13-26(23)32)40-28(31(34,35)36)22-7-5-20(6-8-22)21-9-11-25(12-10-21)44(3,42)43/h4-14,24,27-28,40H,15-16H2,1-3H3,(H,39,41)/t24?,27-,28-/m0/s1