N-[(6-fluoranyl-7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-1-amine

Systemtic Name: N-[(6-fluoranyl-7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-1-amine Openeye Name: N-[(6-fluoro-7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-1-amine CAS Name: N-[(6-fluoro-7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]-1-propanamine IUPAC Name: N-[(6-fluoro-7-methylsulfonyl-4H-1,3-benzodioxin-2-yl)methyl]propan-1-amine Traditional Name: (6-fluoro-7-mesyl-4H-1,3-benzodioxin-2-yl)methyl-propyl-amine Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1OCC2=CC(=C(C=C2O1)S(=O)(=O)C)F

Isomeric SMILES

CCCNCC1OCC2=CC(=C(C=C2O1)S(=O)(=O)C)F

InChI

InChI=1S/C13H18FNO4S/c1-3-4-15-7-13-18-8-9-5-10(14)12(20(2,16)17)6-11(9)19-13/h5-6,13,15H,3-4,7-8H2,1-2H3