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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-phenylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenyl-benzenesulfonamide Formula: C28H28N4O2S MolecularWeight: 484.61252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c33-35(34,26-15-13-23(14-16-26)22-9-4-3-5-10-22)31-25-12-8-11-24(21-25)27-17-18-28(30-29-27)32-19-6-1-2-7-20-32/h3-5,8-18,21,31H,1-2,6-7,19-20H2