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

Systemtic Name: 2-chloranyl-N-[3-[4-cyano-2-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[3-[4-cyano-2-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-[4-cyano-2-(trifluoromethyl)phenoxy]propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-[4-cyano-2-(trifluoromethyl)phenoxy]propyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[3-[4-cyano-2-(trifluoromethyl)phenoxy]propyl]-5-nitro-benzenesulfonamide Formula: C17H13ClF3N3O5S MolecularWeight: 463.81543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClF3N3O5S/c18-14-4-3-12(24(25)26)9-16(14)30(27,28)23-6-1-7-29-15-5-2-11(10-22)8-13(15)17(19,20)21/h2-5,8-9,23H,1,6-7H2