2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C16H13F3N2O5S2 MolecularWeight: 434.41003

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N2O5S2/c1-28(25,26)12-5-6-14(13(8-12)21(23)24)27-9-15(22)20-11-4-2-3-10(7-11)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)