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

Systemtic Name: N-[[7-(trifluoromethylsulfonyl)-4H-1,3-benzodioxin-2-yl]methyl]propan-1-amine Openeye Name: N-[[7-(trifluoromethylsulfonyl)-4H-1,3-benzodioxin-2-yl]methyl]propan-1-amine CAS Name: N-[[7-(trifluoromethylsulfonyl)-4H-1,3-benzodioxin-2-yl]methyl]-1-propanamine IUPAC Name: N-[[7-(trifluoromethylsulfonyl)-4H-1,3-benzodioxin-2-yl]methyl]propan-1-amine Traditional Name: propyl-[(7-triflyl-4H-1,3-benzodioxin-2-yl)methyl]amine Formula: C13H16F3NO4S MolecularWeight: 339.33065

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCNCC1OCC2=C(O1)C=C(C=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H16F3NO4S/c1-2-5-17-7-12-20-8-9-3-4-10(6-11(9)21-12)22(18,19)13(14,15)16/h3-4,6,12,17H,2,5,7-8H2,1H3