2-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-5-nitro-benzenesulfonamide Formula: C14H8F6N2O4S MolecularWeight: 414.279739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8F6N2O4S/c15-13(16,17)8-3-7(4-9(5-8)14(18,19)20)11-2-1-10(22(23)24)6-12(11)27(21,25)26/h1-6H,(H2,21,25,26)