(2R)-N-(1-cyanocyclopropyl)-2-[[(2R)-4-cyclopropyl-1,1,1-tris(fluoranyl)-2-(4-fluorophenyl)but-3-yn-2-yl]amino]-3-methylsulfonyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(2R)-4-cyclopropyl-1,1,1-tris(fluoranyl)-2-(4-fluorophenyl)but-3-yn-2-yl]amino]-3-methylsulfonyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(1R)-3-cyclopropyl-1-(4-fluorophenyl)-1-(trifluoromethyl)prop-2-ynyl]amino]-3-methylsulfonyl-propanamide CAS Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(2R)-4-cyclopropyl-1,1,1-trifluoro-2-(4-fluorophenyl)but-3-yn-2-yl]amino]-3-methylsulfonylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(2R)-4-cyclopropyl-1,1,1-trifluoro-2-(4-fluorophenyl)but-3-yn-2-yl]amino]-3-methylsulfonylpropanamide Traditional Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(1R)-3-cyclopropyl-1-(4-fluorophenyl)-1-(trifluoromethyl)prop-2-ynyl]amino]-3-mesyl-propionamide Formula: C21H21F4N3O3S MolecularWeight: 471.468353

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)NC1(CC1)C#N)NC(C#CC2CC2)(C3=CC=C(C=C3)F)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C[C@@H](C(=O)NC1(CC1)C#N)N[C@@](C#CC2CC2)(C3=CC=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C21H21F4N3O3S/c1-32(30,31)12-17(18(29)28-19(13-26)10-11-19)27-20(21(23,24)25,9-8-14-2-3-14)15-4-6-16(22)7-5-15/h4-7,14,17,27H,2-3,10-12H2,1H3,(H,28,29)/t17-,20-/m0/s1