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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-butoxy-benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-butoxy-benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-butoxybenzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-butoxybenzenesulfonamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-butoxy-benzenesulfonamide Formula: C26H32N4O3S MolecularWeight: 480.62228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-2-3-20-33-23-12-14-24(15-13-23)34(31,32)29-22-10-8-21(9-11-22)25-16-17-26(28-27-25)30-18-6-4-5-7-19-30/h8-17,29H,2-7,18-20H2,1H3