N-(4-bromanyl-1-methyl-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(4-bromanyl-1-methyl-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-(4-bromo-1-methyl-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-(4-bromo-1-methyl-3-pyrazolyl)-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(4-bromo-1-methylpyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-(4-bromo-1-methyl-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C12H8BrF6N3O2S MolecularWeight: 452.170239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br

Isomeric SMILES

CN1C=C(C(=N1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br

InChI

InChI=1S/C12H8BrF6N3O2S/c1-22-5-9(13)10(20-22)21-25(23,24)8-3-6(11(14,15)16)2-7(4-8)12(17,18)19/h2-5H,1H3,(H,20,21)