N-(4-fluoranyl-3-nitro-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C17H17FN4O5S2 MolecularWeight: 440.469083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O5S2/c18-14-5-3-12(9-15(14)22(24)25)20-16(23)11-28-17-6-4-13(10-19-17)29(26,27)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H,20,23)