N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide Formula: C19H19F3N2O6S MolecularWeight: 460.42417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O6S/c1-2-6-23(31(27,28)17-5-3-4-15(9-17)19(20,21)22)10-13-7-16(24(25)26)8-14-11-29-12-30-18(13)14/h3-5,7-9H,2,6,10-12H2,1H3