1,1,1-tris(fluoranyl)-N-[4-nitro-2-(thian-4-yloxy)phenyl]methanesulfonamide

Systemtic Name: 1,1,1-tris(fluoranyl)-N-[4-nitro-2-(thian-4-yloxy)phenyl]methanesulfonamide Openeye Name: 1,1,1-trifluoro-N-(4-nitro-2-tetrahydrothiopyran-4-yloxy-phenyl)methanesulfonamide CAS Name: 1,1,1-trifluoro-N-[4-nitro-2-(4-thianyloxy)phenyl]methanesulfonamide IUPAC Name: 1,1,1-trifluoro-N-[4-nitro-2-(thian-4-yloxy)phenyl]methanesulfonamide Traditional Name: 1,1,1-trifluoro-N-(4-nitro-2-tetrahydrothiopyran-4-yloxy-phenyl)methanesulfonamide Formula: C12H13F3N2O5S2 MolecularWeight: 386.36723

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CSCCC1OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O5S2/c13-12(14,15)24(20,21)16-10-2-1-8(17(18)19)7-11(10)22-9-3-5-23-6-4-9/h1-2,7,9,16H,3-6H2