N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[(2-nitro-4-triflyl-phenyl)thio]acetamide Formula: C20H23F3N2O5S2 MolecularWeight: 492.53223

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=C(C=C(C=C4)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=C(C=C(C=C4)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H23F3N2O5S2/c21-20(22,23)32(29,30)15-1-2-17(16(6-15)25(27)28)31-10-18(26)24-11-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14H,3-5,7-11H2,(H,24,26)