N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-fluoranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-fluoro-3-nitro-benzenesulfonamide Formula: C13H14FN3O4S MolecularWeight: 327.331363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(N1C)CNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14FN3O4S/c1-9-3-4-10(16(9)2)8-15-22(20,21)11-5-6-12(14)13(7-11)17(18)19/h3-7,15H,8H2,1-2H3