(2R)-2-[[(1S)-2,2-bis(fluoranyl)-1-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-ethyl]amino]-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)propanamide

Systemtic Name: (2R)-2-[[(1S)-2,2-bis(fluoranyl)-1-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-ethyl]amino]-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)propanamide Openeye Name: (2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2-difluoro-1-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-ethyl]amino]propanamide CAS Name: (2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2-difluoro-1-(4-fluorophenyl)-2-[(4-fluorophenyl)thio]ethyl]amino]propanamide IUPAC Name: (2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2-difluoro-1-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]amino]propanamide Traditional Name: (2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2-difluoro-1-(4-fluorophenyl)-2-[(4-fluorophenyl)thio]ethyl]amino]propionamide Formula: C25H25F4N3O3S2 MolecularWeight: 555.607913

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CS(=O)(=O)CC(C(=O)NC2(CC2)C#N)NC(C3=CC=C(C=C3)F)C(F)(F)SC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1CS(=O)(=O)C[C@@H](C(=O)NC2(CC2)C#N)N[C@@H](C3=CC=C(C=C3)F)C(F)(F)SC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25F4N3O3S2/c26-18-5-3-17(4-6-18)22(25(28,29)36-20-9-7-19(27)8-10-20)31-21(14-37(34,35)13-16-1-2-16)23(33)32-24(15-30)11-12-24/h3-10,16,21-22,31H,1-2,11-14H2,(H,32,33)/t21-,22-/m0/s1