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

Systemtic Name: (2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-tris(fluoranyl)ethyl]amino]-N-[(1S)-1-cyano-2-(4-methylsulfonylphenyl)ethyl]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-ethyl]amino]-N-[(1S)-1-cyano-2-(4-methylsulfonylphenyl)ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N-[(1S)-1-cyano-2-(4-methylsulfonylphenyl)ethyl]-4-methylpentanamide IUPAC Name: (2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N-[(1S)-1-cyano-2-(4-methylsulfonylphenyl)ethyl]-4-methylpentanamide Traditional Name: (2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-ethyl]amino]-N-[(1S)-1-cyano-2-(4-mesylphenyl)ethyl]-4-methyl-valeramide Formula: C24H27BrF3N3O3S MolecularWeight: 574.45369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrF3N3O3S/c1-15(2)12-21(31-22(24(26,27)28)17-6-8-18(25)9-7-17)23(32)30-19(14-29)13-16-4-10-20(11-5-16)35(3,33)34/h4-11,15,19,21-22,31H,12-13H2,1-3H3,(H,30,32)/t19-,21-,22-/m0/s1