N-[2-chloranyl-5-(trifluoromethylsulfonyl)phenyl]-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethylsulfonyl)phenyl]-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-(4-methylsulfinyl-2-nitrophenyl)sulfonylacetamide IUPAC Name: N-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-(4-methylsulfinyl-2-nitrophenyl)sulfonylacetamide Traditional Name: N-(2-chloro-5-triflyl-phenyl)-2-(4-methylsulfinyl-2-nitro-phenyl)sulfonyl-acetamide Formula: C16H12ClF3N2O8S3 MolecularWeight: 548.91829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClF3N2O8S3/c1-31(26)9-2-5-14(13(6-9)22(24)25)32(27,28)8-15(23)21-12-7-10(3-4-11(12)17)33(29,30)16(18,19)20/h2-7H,8H2,1H3,(H,21,23)