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

Systemtic Name: 4-fluoranyl-N-methyl-N-[(2-methylphenyl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-fluoro-N-methyl-3-nitro-N-(o-tolylmethyl)benzenesulfonamide CAS Name: 4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-fluoro-N-methyl-N-(2-methylbenzyl)-3-nitro-benzenesulfonamide Formula: C15H15FN2O4S MolecularWeight: 338.354003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(C)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C15H15FN2O4S/c1-11-5-3-4-6-12(11)10-17(2)23(21,22)13-7-8-14(16)15(9-13)18(19)20/h3-9H,10H2,1-2H3