4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethylamino]-3-nitro-benzenesulfonamide Formula: C14H12ClF3N4O4S2 MolecularWeight: 456.84769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H12ClF3N4O4S2/c15-10-5-8(14(16,17)18)7-21-13(10)27-4-3-20-11-2-1-9(28(19,25)26)6-12(11)22(23)24/h1-2,5-7,20H,3-4H2,(H2,19,25,26)