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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-4-fluoranyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-4-fluoro-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-4-fluoro-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-4-fluoro-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylbenzyl)-4-fluoro-N-methyl-3-nitro-benzenesulfonamide Formula: C16H17FN2O4S MolecularWeight: 352.380583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O4S/c1-11-4-5-13(12(2)8-11)10-18(3)24(22,23)14-6-7-15(17)16(9-14)19(20)21/h4-9H,10H2,1-3H3