4-[1,1-bis(oxidanylidene)-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazin-3-yl]butyl nitrate

Systemtic Name: 4-[1,1-bis(oxidanylidene)-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazin-3-yl]butyl nitrate Openeye Name: 4-[1,1-dioxo-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazin-3-yl]butyl nitrate CAS Name: nitric acid 4-[1,1-dioxo-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazin-3-yl]butyl ester IUPAC Name: 4-[1,1-dioxo-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazin-3-yl]butyl nitrate Traditional Name: nitric acid 4-[1,1-diketo-7-sulfamoyl-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazin-3-yl]butyl ester Formula: C12H15F3N4O7S2 MolecularWeight: 448.39531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1NC(NS2(=O)=O)CCCCO[N+](=O)[O-])S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC2=C1NC(NS2(=O)=O)CCCCO[N+](=O)[O-])S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C12H15F3N4O7S2/c13-12(14,15)7-5-8-10(6-9(7)27(16,22)23)28(24,25)18-11(17-8)3-1-2-4-26-19(20)21/h5-6,11,17-18H,1-4H2,(H2,16,22,23)