4-[3-[2-(2-fluoranyl-4-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-(2-fluoranyl-4-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-(2-fluoro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-(2-fluoro-4-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-(2-fluoro-4-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-(2-fluoro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C20H18FN3O6S MolecularWeight: 447.436823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C20H18FN3O6S/c1-12-9-17(13(2)23(12)14-3-6-16(7-4-14)31(22,28)29)19(25)11-30-20-8-5-15(24(26)27)10-18(20)21/h3-10H,11H2,1-2H3,(H2,22,28,29)