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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-ethanoyl-benzenesulfonamide Openeye Name: 4-acetyl-N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H26N4O3S/c1-18(29)19-8-12-22(13-9-19)32(30,31)27-21-10-6-20(7-11-21)23-14-15-24(26-25-23)28-16-4-2-3-5-17-28/h6-15,27H,2-5,16-17H2,1H3