N-(1-methylsulfonylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(1-mesyl-4-piperidyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C15H18F3N3O5S2 MolecularWeight: 441.44573

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H18F3N3O5S2/c1-28(25,26)20-6-4-11(5-7-20)19-14(22)9-27-13-3-2-10(15(16,17)18)8-12(13)21(23)24/h2-3,8,11H,4-7,9H2,1H3,(H,19,22)