2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-(2,2,2-trifluoroethyl)acetamide Formula: C14H16F3N3O6S MolecularWeight: 411.35355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H16F3N3O6S/c15-14(16,17)9-18-13(21)8-26-12-4-3-10(7-11(12)20(22)23)27(24,25)19-5-1-2-6-19/h3-4,7H,1-2,5-6,8-9H2,(H,18,21)