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

Systemtic Name: 4-fluoranyl-N-[(4-fluorophenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-fluoro-N-[(4-fluorophenyl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-fluoro-N-[(4-fluorophenyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-fluoro-N-[(4-fluorophenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-fluoro-N-(4-fluorobenzyl)-3-nitro-benzenesulfonamide Formula: C13H10F2N2O4S MolecularWeight: 328.291306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])F

InChI

InChI=1S/C13H10F2N2O4S/c14-10-3-1-9(2-4-10)8-16-22(20,21)11-5-6-12(15)13(7-11)17(18)19/h1-7,16H,8H2