N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3SCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S2/c21-9-12-31-19-6-2-1-5-16(19)22-20(25)14-30-18-8-7-15(13-17(18)24(26)27)32(28,29)23-10-3-4-11-23/h1-2,5-8,13H,3-4,10-12,14H2,(H,22,25)