N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[1,2-b]pyridazin-6-ylsulfanyl-propane-1-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[1,2-b]pyridazin-6-ylsulfanyl-propane-1-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[1,2-b]pyridazin-6-ylsulfanyl-propane-1-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-imidazo[1,2-b]pyridazinylthio)-1-propanesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[1,2-b]pyridazin-6-ylsulfanylpropane-1-sulfonamide Traditional Name: N-homoveratryl-3-(imidazo[1,2-b]pyridazin-6-ylthio)propane-1-sulfonamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)CCCSC2=NN3C=CN=C3C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)CCCSC2=NN3C=CN=C3C=C2)OC

InChI

InChI=1S/C19H24N4O4S2/c1-26-16-5-4-15(14-17(16)27-2)8-9-21-29(24,25)13-3-12-28-19-7-6-18-20-10-11-23(18)22-19/h4-7,10-11,14,21H,3,8-9,12-13H2,1-2H3