N-[4-bromanyl-2-(trifluoromethyl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-2-(trifluoromethyl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-nitro-benzenesulfonamide Formula: C13H8BrF3N2O4S MolecularWeight: 425.17783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C13H8BrF3N2O4S/c14-8-5-6-10(9(7-8)13(15,16)17)18-24(22,23)12-4-2-1-3-11(12)19(20)21/h1-7,18H