5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzamide

Systemtic Name: 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzamide Openeye Name: 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzamide CAS Name: 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide IUPAC Name: 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide Traditional Name: N-mesyl-5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzamide Formula: C16H13F3N2O7S2 MolecularWeight: 466.40883

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NS(=O)(=O)C

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NS(=O)(=O)C

InChI

InChI=1S/C16H13F3N2O7S2/c1-29(25)14-7-9(16(17,18)19)3-6-13(14)28-10-4-5-12(21(23)24)11(8-10)15(22)20-30(2,26)27/h3-8H,1-2H3,(H,20,22)