N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C19H16FN3O5S MolecularWeight: 417.410843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=C(N=CC=C2)OC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O5S/c1-13-7-8-17(11-18(13)23(24)25)29(26,27)22-12-14-4-3-9-21-19(14)28-16-6-2-5-15(20)10-16/h2-11,22H,12H2,1H3