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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C23H25FN4O3S MolecularWeight: 456.533003

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3S/c1-31-22-11-9-19(16-20(22)24)32(29,30)27-18-8-6-7-17(15-18)21-10-12-23(26-25-21)28-13-4-2-3-5-14-28/h6-12,15-16,27H,2-5,13-14H2,1H3