N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-(6-pyrrolidinopyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H19F3N4O2S MolecularWeight: 448.46137

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O2S/c22-21(23,24)16-4-3-5-18(14-16)31(29,30)27-17-8-6-15(7-9-17)19-10-11-20(26-25-19)28-12-1-2-13-28/h3-11,14,27H,1-2,12-13H2