N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C23H23F3N4O2S MolecularWeight: 476.51453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H23F3N4O2S/c24-23(25,26)19-7-3-4-8-21(19)33(31,32)29-18-11-9-17(10-12-18)20-13-14-22(28-27-20)30-15-5-1-2-6-16-30/h3-4,7-14,29H,1-2,5-6,15-16H2