3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzenesulfonamide Openeye Name: 3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanyl-benzenesulfonamide CAS Name: 3-nitro-4-[[3-(trifluoromethyl)phenyl]thio]benzenesulfonamide IUPAC Name: 3-nitro-4-[3-(trifluoromethyl)phenyl]sulfanylbenzenesulfonamide Traditional Name: 3-nitro-4-[[3-(trifluoromethyl)phenyl]thio]benzenesulfonamide Formula: C13H9F3N2O4S2 MolecularWeight: 378.34677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H9F3N2O4S2/c14-13(15,16)8-2-1-3-9(6-8)23-12-5-4-10(24(17,21)22)7-11(12)18(19)20/h1-7H,(H2,17,21,22)