4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)oxy-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H18ClFN2O5S MolecularWeight: 416.851623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClFN2O5S/c1-3-20(4-2)27(24,25)12-8-9-17(16(10-12)21(22)23)26-11-13-14(18)6-5-7-15(13)19/h5-10H,3-4,11H2,1-2H3