2-(5-fluoranyl-2-nitro-phenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(5-fluoro-2-nitro-phenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(5-fluoro-2-nitrophenoxy)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(5-fluoro-2-nitrophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C18H18FN3O6S MolecularWeight: 423.415423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O6S/c19-13-6-7-16(22(24)25)17(10-13)28-12-18(23)20-14-4-3-5-15(11-14)29(26,27)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,23)