(2R)-N-(1-cyanocyclopropyl)-3-(phenylmethyl)sulfonyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-(4-hydroxyphenyl)ethyl]amino]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclopropyl)-3-(phenylmethyl)sulfonyl-2-[[(1S)-2,2,2-tris(fluoranyl)-1-(4-hydroxyphenyl)ethyl]amino]propanamide Openeye Name: (2R)-3-benzylsulfonyl-N-(1-cyanocyclopropyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propanamide CAS Name: (2R)-N-(1-cyanocyclopropyl)-3-(phenylmethyl)sulfonyl-2-[[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propanamide IUPAC Name: (2R)-3-benzylsulfonyl-N-(1-cyanocyclopropyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propanamide Traditional Name: (2R)-3-benzylsulfonyl-N-(1-cyanocyclopropyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propionamide Formula: C22H22F3N3O4S MolecularWeight: 481.48799

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)NC(=O)C(CS(=O)(=O)CC2=CC=CC=C2)NC(C3=CC=C(C=C3)O)C(F)(F)F

Isomeric SMILES

C1CC1(C#N)NC(=O)[C@H](CS(=O)(=O)CC2=CC=CC=C2)N[C@@H](C3=CC=C(C=C3)O)C(F)(F)F

InChI

InChI=1S/C22H22F3N3O4S/c23-22(24,25)19(16-6-8-17(29)9-7-16)27-18(20(30)28-21(14-26)10-11-21)13-33(31,32)12-15-4-2-1-3-5-15/h1-9,18-19,27,29H,10-13H2,(H,28,30)/t18-,19-/m0/s1