N-[(5-fluoranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-ethanamine

Systemtic Name: N-[(5-fluoranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-ethanamine Openeye Name: N-[(5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxy-ethanamine CAS Name: N-[(5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxyethanamine IUPAC Name: N-[(5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-methoxyethanamine Traditional Name: (5-fluoro-7-mesyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-(2-methoxyethyl)amine Formula: C13H18FNO5S MolecularWeight: 319.349123

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCC1COC2=C(C=C(C=C2O1)S(=O)(=O)C)F

Isomeric SMILES

COCCNCC1COC2=C(C=C(C=C2O1)S(=O)(=O)C)F

InChI

InChI=1S/C13H18FNO5S/c1-18-4-3-15-7-9-8-19-13-11(14)5-10(21(2,16)17)6-12(13)20-9/h5-6,9,15H,3-4,7-8H2,1-2H3