(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H24N2O8S MolecularWeight: 476.49956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C22H24N2O8S/c1-3-23(4-2)33(28,29)20-8-5-16(6-9-20)7-10-21(25)31-14-18-12-19(24(26)27)11-17-13-30-15-32-22(17)18/h5-12H,3-4,13-15H2,1-2H3/b10-7+