2-chloranyl-N-[3-[2-fluoranyl-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[3-[2-fluoranyl-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[3-[2-fluoro-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-[2-fluoro-4-(trifluoromethyl)phenoxy]propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-[2-fluoro-4-(trifluoromethyl)phenoxy]propyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[3-[2-fluoro-4-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide Formula: C16H13ClF4N2O5S MolecularWeight: 456.796433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)F)OCCCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)F)OCCCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClF4N2O5S/c17-12-4-3-11(23(24)25)9-15(12)29(26,27)22-6-1-7-28-14-5-2-10(8-13(14)18)16(19,20)21/h2-5,8-9,22H,1,6-7H2