(2S)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentan-1-ol

Systemtic Name: (2S)-4-methyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentan-1-ol Openeye Name: (2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentan-1-ol CAS Name: (2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]-1-pentanol IUPAC Name: (2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentan-1-ol Traditional Name: (2S)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-mesylphenyl)phenyl]ethyl]amino]pentan-1-ol Formula: C21H26F3NO3S MolecularWeight: 429.49625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](CO)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C21H26F3NO3S/c1-14(2)12-18(13-26)25-20(21(22,23)24)17-6-4-15(5-7-17)16-8-10-19(11-9-16)29(3,27)28/h4-11,14,18,20,25-26H,12-13H2,1-3H3/t18-,20-/m0/s1