N-[2-(4-fluorophenyl)-1-nitro-propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(4-fluorophenyl)-1-nitro-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-(4-fluorophenyl)-1-methyl-2-nitro-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(4-fluorophenyl)-1-nitropropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(4-fluorophenyl)-1-nitropropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-(4-fluorophenyl)-1-methyl-2-nitro-ethyl]-4-methyl-benzenesulfonamide Formula: C16H17FN2O4S MolecularWeight: 352.380583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O4S/c1-12-3-9-15(10-4-12)24(22,23)18-16(2,11-19(20)21)13-5-7-14(17)8-6-13/h3-10,18H,11H2,1-2H3