N,N-diethyl-4-[(3-fluoranyl-4-methoxy-phenyl)methoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(3-fluoranyl-4-methoxy-phenyl)methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(3-fluoro-4-methoxy-phenyl)methoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(3-fluoro-4-methoxyphenyl)methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(3-fluoro-4-methoxyphenyl)methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(3-fluoro-4-methoxy-benzyl)oxy-3-nitro-benzenesulfonamide Formula: C18H21FN2O6S MolecularWeight: 412.432543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C18H21FN2O6S/c1-4-20(5-2)28(24,25)14-7-9-18(16(11-14)21(22)23)27-12-13-6-8-17(26-3)15(19)10-13/h6-11H,4-5,12H2,1-3H3