2-[[3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-2-oxidanyl-propyl]amino]benzenesulfonamide

Systemtic Name: 2-[[3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]-2-oxidanyl-propyl]amino]benzenesulfonamide Openeye Name: 2-[[2-hydroxy-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]amino]benzenesulfonamide CAS Name: 2-[[2-hydroxy-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]amino]benzenesulfonamide IUPAC Name: 2-[[2-hydroxy-3-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]amino]benzenesulfonamide Traditional Name: 2-[[2-hydroxy-3-(2-nitro-4-triflyl-phenoxy)propyl]amino]benzenesulfonamide Formula: C16H16F3N3O8S2 MolecularWeight: 499.43875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])O)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NCC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])O)S(=O)(=O)N

InChI

InChI=1S/C16H16F3N3O8S2/c17-16(18,19)31(26,27)11-5-6-14(13(7-11)22(24)25)30-9-10(23)8-21-12-3-1-2-4-15(12)32(20,28)29/h1-7,10,21,23H,8-9H2,(H2,20,28,29)