N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C17H19FN2O6S MolecularWeight: 398.405963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN2O6S/c1-4-19(11-12-5-7-16(25-2)14(18)9-12)27(23,24)13-6-8-17(26-3)15(10-13)20(21)22/h5-10H,4,11H2,1-3H3