sodium N-(2-cyclohexyloxy-4-nitro-phenyl)-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: sodium N-(2-cyclohexyloxy-4-nitro-phenyl)-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: sodium N-[2-(cyclohexoxy)-4-nitro-phenyl]-1,1,1-trifluoro-methanesulfonamide CAS Name: sodium N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide IUPAC Name: sodium N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide Traditional Name: sodium N-[2-(cyclohexoxy)-4-nitro-phenyl]-1,1,1-trifluoro-methanesulfonamide Formula: C13H15F3N2NaO5S+ MolecularWeight: 391.31858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C(F)(F)F.[Na+]

Isomeric SMILES

C1CCC(CC1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C(F)(F)F.[Na+]

InChI

InChI=1S/C13H15F3N2O5S.Na/c14-13(15,16)24(21,22)17-11-7-6-9(18(19)20)8-12(11)23-10-4-2-1-3-5-10;/h6-8,10,17H,1-5H2;/q;+1