4-[bis(fluoranyl)methylsulfonyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline Openeye Name: 4-(difluoromethylsulfonyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline CAS Name: 4-(difluoromethylsulfonyl)-N-[(1-methyl-4-pyrazolyl)methyl]aniline IUPAC Name: 4-(difluoromethylsulfonyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline Traditional Name: [4-(difluoromethylsulfonyl)phenyl]-[(1-methylpyrazol-4-yl)methyl]amine Formula: C12H13F2N3O2S MolecularWeight: 301.312326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C12H13F2N3O2S/c1-17-8-9(7-16-17)6-15-10-2-4-11(5-3-10)20(18,19)12(13)14/h2-5,7-8,12,15H,6H2,1H3