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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC(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(=CC=C1NCC(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)13-5-6-15(14(7-13)22(24)25)30-9-11(23)8-21-10-1-3-12(4-2-10)32(20,28)29/h1-7,11,21,23H,8-9H2,(H2,20,28,29)