(2S)-4-fluoranyl-4-methyl-N-[1-(2-methylsulfonylphenyl)-3-oxidanylidene-piperidin-4-yl]-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

Systemtic Name: (2S)-4-fluoranyl-4-methyl-N-[1-(2-methylsulfonylphenyl)-3-oxidanylidene-piperidin-4-yl]-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Openeye Name: (2S)-4-fluoro-4-methyl-N-[1-(2-methylsulfonylphenyl)-3-oxo-4-piperidyl]-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide CAS Name: (2S)-4-fluoro-4-methyl-N-[1-(2-methylsulfonylphenyl)-3-oxo-4-piperidinyl]-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide IUPAC Name: (2S)-4-fluoro-4-methyl-N-[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide Traditional Name: (2S)-4-fluoro-N-[3-keto-1-(2-mesylphenyl)-4-piperidyl]-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]valeramide Formula: C33H37F4N3O6S2 MolecularWeight: 711.786993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1CCN(CC1=O)C2=CC=CC=C2S(=O)(=O)C)NC(C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F)F

Isomeric SMILES

CC(C)(C[C@@H](C(=O)NC1CCN(CC1=O)C2=CC=CC=C2S(=O)(=O)C)N[C@@H](C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C(F)(F)F)F

InChI

InChI=1S/C33H37F4N3O6S2/c1-32(2,34)19-26(31(42)39-25-17-18-40(20-28(25)41)27-7-5-6-8-29(27)48(4,45)46)38-30(33(35,36)37)23-11-9-21(10-12-23)22-13-15-24(16-14-22)47(3,43)44/h5-16,25-26,30,38H,17-20H2,1-4H3,(H,39,42)/t25?,26-,30-/m0/s1