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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c27-29(28,20-11-4-3-5-12-20)25-19-10-8-9-18(17-19)21-13-14-22(24-23-21)26-15-6-1-2-7-16-26/h3-5,8-14,17,25H,1-2,6-7,15-16H2