1-[3,4-bis(fluoranyl)phenyl]-5-butoxy-2-(4-methylsulfonylphenyl)-5-oxidanyl-1,2-diazinan-4-one

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-5-butoxy-2-(4-methylsulfonylphenyl)-5-oxidanyl-1,2-diazinan-4-one Openeye Name: 5-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-2-(4-methylsulfonylphenyl)hexahydropyridazin-4-one CAS Name: 5-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-2-(4-methylsulfonylphenyl)-4-diazinanone IUPAC Name: 5-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-2-(4-methylsulfonylphenyl)diazinan-4-one Traditional Name: 5-butoxy-1-(3,4-difluorophenyl)-5-hydroxy-2-(4-mesylphenyl)hexahydropyridazin-4-one Formula: C21H24F2N2O5S MolecularWeight: 454.487466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CN(N(CC1=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)F)F)O

Isomeric SMILES

CCCCOC1(CN(N(CC1=O)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)F)F)O

InChI

InChI=1S/C21H24F2N2O5S/c1-3-4-11-30-21(27)14-25(16-7-10-18(22)19(23)12-16)24(13-20(21)26)15-5-8-17(9-6-15)31(2,28)29/h5-10,12,27H,3-4,11,13-14H2,1-2H3