N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H19F2N3O6S2 MolecularWeight: 487.497466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N3O6S2/c20-19(21)31-14-5-3-13(4-6-14)22-18(25)12-30-17-8-7-15(11-16(17)24(26)27)32(28,29)23-9-1-2-10-23/h3-8,11,19H,1-2,9-10,12H2,(H,22,25)