4-[5-[6-(azepan-1-yl)pyridazin-3-yl]-2-methyl-phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-[6-(azepan-1-yl)pyridazin-3-yl]-2-methyl-phenyl]sulfonylmorpholine Openeye Name: 4-[5-[6-(azepan-1-yl)pyridazin-3-yl]-2-methyl-phenyl]sulfonylmorpholine CAS Name: 4-[5-[6-(1-azepanyl)-3-pyridazinyl]-2-methylphenyl]sulfonylmorpholine IUPAC Name: 4-[5-[6-(azepan-1-yl)pyridazin-3-yl]-2-methylphenyl]sulfonylmorpholine Traditional Name: 4-[5-[6-(azepan-1-yl)pyridazin-3-yl]-2-methyl-phenyl]sulfonylmorpholine Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCCCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CCCCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c1-17-6-7-18(16-20(17)29(26,27)25-12-14-28-15-13-25)19-8-9-21(23-22-19)24-10-4-2-3-5-11-24/h6-9,16H,2-5,10-15H2,1H3