N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]thian-4-amine

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]thian-4-amine Openeye Name: N-[4-(difluoromethylsulfonyl)phenyl]tetrahydrothiopyran-4-amine CAS Name: N-[4-(difluoromethylsulfonyl)phenyl]-4-thianamine IUPAC Name: N-[4-(difluoromethylsulfonyl)phenyl]thian-4-amine Traditional Name: [4-(difluoromethylsulfonyl)phenyl]-tetrahydrothiopyran-4-yl-amine Formula: C12H15F2NO2S2 MolecularWeight: 307.379806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C1CSCCC1NC2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C12H15F2NO2S2/c13-12(14)19(16,17)11-3-1-9(2-4-11)15-10-5-7-18-8-6-10/h1-4,10,12,15H,5-8H2