N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H21FN2O5S MolecularWeight: 396.433143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O5S/c1-5-20(11-14-6-7-17(26-4)16(19)9-14)27(24,25)18-10-15(21(22)23)8-12(2)13(18)3/h6-10H,5,11H2,1-4H3