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

Systemtic Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(2S)-4-cyclopropyl-1,1,1-tris(fluoranyl)but-3-yn-2-yl]amino]-3-methylsulfonyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(1S)-3-cyclopropyl-1-(trifluoromethyl)prop-2-ynyl]amino]-3-methylsulfonyl-propanamide CAS Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(2S)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl]amino]-3-methylsulfonylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(2S)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-yl]amino]-3-methylsulfonylpropanamide Traditional Name: (2R)-N-(1-cyanocyclopropyl)-2-[[(1S)-3-cyclopropyl-1-(trifluoromethyl)prop-2-ynyl]amino]-3-mesyl-propionamide Formula: C15H18F3N3O3S MolecularWeight: 377.38193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3N3O3S/c1-25(23,24)8-11(13(22)21-14(9-19)6-7-14)20-12(15(16,17)18)5-4-10-2-3-10/h10-12,20H,2-3,6-8H2,1H3,(H,21,22)/t11-,12-/m0/s1