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

Systemtic Name: N-[3-methoxy-4-(methylsulfonylamino)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[4-(methanesulfonamido)-3-methoxy-phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[4-(methanesulfonamido)-3-methoxy-phenyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C17H16F3N3O6S2 MolecularWeight: 479.45065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])NS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])NS(=O)(=O)C

InChI

InChI=1S/C17H16F3N3O6S2/c1-29-14-8-11(4-5-12(14)22-31(2,27)28)21-16(24)9-30-15-6-3-10(17(18,19)20)7-13(15)23(25)26/h3-8,22H,9H2,1-2H3,(H,21,24)