2-[[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methylazaniumyl]ethyl-methylsulfonyl-azanide

Systemtic Name: 2-[[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methylazaniumyl]ethyl-methylsulfonyl-azanide Openeye Name: 2-[[3-(difluoromethoxy)-4-methoxy-phenyl]methylammonio]ethyl-methylsulfonyl-azanide CAS Name: 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylammonio]ethyl-methylsulfonylazanide IUPAC Name: 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylazaniumyl]ethyl-methylsulfonylazanide Traditional Name: 2-[[3-(difluoromethoxy)-4-methoxy-benzyl]ammonio]ethyl-mesyl-azanide Formula: C12H18F2N2O4S MolecularWeight: 324.344126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC[N-]S(=O)(=O)C)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC[N-]S(=O)(=O)C)OC(F)F

InChI

InChI=1S/C12H17F2N2O4S/c1-19-10-4-3-9(7-11(10)20-12(13)14)8-15-5-6-16-21(2,17)18/h3-4,7,12,15H,5-6,8H2,1-2H3/q-1/p+1