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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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