N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,5-dimethyl-benzenesulfonamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C24H28N4O2S/c1-18-14-19(2)16-22(15-18)31(29,30)27-21-9-7-8-20(17-21)23-10-11-24(26-25-23)28-12-5-3-4-6-13-28/h7-11,14-17,27H,3-6,12-13H2,1-2H3