N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H17F3N4O5S2 MolecularWeight: 490.47659

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H17F3N4O5S2/c19-18(20,21)14-9-12(25(27)28)3-5-15(14)23-16(26)11-31-17-6-4-13(10-22-17)32(29,30)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11H2,(H,23,26)