(2S)-N-[(1S)-1-cyano-2-[4-cyano-2,6-bis(fluoranyl)phenyl]ethyl]-3-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]butanamide

Systemtic Name: (2S)-N-[(1S)-1-cyano-2-[4-cyano-2,6-bis(fluoranyl)phenyl]ethyl]-3-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]butanamide Openeye Name: (2S)-N-[(1S)-1-cyano-2-(4-cyano-2,6-difluoro-phenyl)ethyl]-3-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]butanamide CAS Name: (2S)-N-[(1S)-1-cyano-2-(4-cyano-2,6-difluorophenyl)ethyl]-3-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]butanamide IUPAC Name: (2S)-N-[(1S)-1-cyano-2-(4-cyano-2,6-difluorophenyl)ethyl]-3-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]butanamide Traditional Name: (2S)-N-[(1S)-1-cyano-2-(4-cyano-2,6-difluoro-phenyl)ethyl]-3-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]butyramide Formula: C30H27F5N4O3S MolecularWeight: 618.617396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=C(C=C(C=C1F)C#N)F)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=C(C=C(C=C1F)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

InChI

InChI=1S/C30H27F5N4O3S/c1-17(2)27(29(40)38-22(16-37)14-24-25(31)12-18(15-36)13-26(24)32)39-28(30(33,34)35)21-6-4-19(5-7-21)20-8-10-23(11-9-20)43(3,41)42/h4-13,17,22,27-28,39H,14H2,1-3H3,(H,38,40)/t22-,27-,28-/m0/s1