N-(4-chloranyl-2-fluoranyl-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C18H17ClFN3O6S MolecularWeight: 457.860483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3O6S/c19-12-3-5-15(14(20)9-12)21-18(24)11-29-17-6-4-13(10-16(17)23(25)26)30(27,28)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,21,24)