N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-methylsulfanyl-2-nitro-phenyl)sulfonyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-methylsulfanyl-2-nitro-phenyl)sulfonyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylsulfanyl-2-nitro-phenyl)sulfonyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(methylthio)-2-nitrophenyl]sulfonylacetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylsulfanyl-2-nitrophenyl)sulfonylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(methylthio)-2-nitro-phenyl]sulfonyl-acetamide Formula: C16H12ClF3N2O5S2 MolecularWeight: 468.85509

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClF3N2O5S2/c1-28-10-3-5-14(13(7-10)22(24)25)29(26,27)8-15(23)21-12-6-9(16(18,19)20)2-4-11(12)17/h2-7H,8H2,1H3,(H,21,23)