N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methoxy-2,5-dimethyl-benzenesulfonamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C)OC

InChI

InChI=1S/C25H30N4O3S/c1-18-16-24(19(2)15-23(18)32-3)33(30,31)28-21-10-8-9-20(17-21)22-11-12-25(27-26-22)29-13-6-4-5-7-14-29/h8-12,15-17,28H,4-7,13-14H2,1-3H3