N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-nitro-benzenesulfonamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-nitrobenzenesulfonamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-nitro-benzenesulfonamide Formula: C14H13FN2O4S MolecularWeight: 324.327423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])F

InChI

InChI=1S/C14H13FN2O4S/c1-10-6-7-11(8-12(10)15)9-16-22(20,21)14-5-3-2-4-13(14)17(18)19/h2-8,16H,9H2,1H3