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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)OC

InChI

InChI=1S/C24H28N4O4S/c1-31-22-12-10-20(17-23(22)32-2)33(29,30)27-19-9-7-8-18(16-19)21-11-13-24(26-25-21)28-14-5-3-4-6-15-28/h7-13,16-17,27H,3-6,14-15H2,1-2H3