4-[5-nitro-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-nitro-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]sulfonylmorpholine Openeye Name: 4-[5-nitro-2-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl]sulfonylmorpholine Formula: C17H15F3N2O5S2 MolecularWeight: 448.43661

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O5S2/c18-17(19,20)12-2-1-3-14(10-12)28-15-5-4-13(22(23)24)11-16(15)29(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2