2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O5S/c1-30-20-5-3-2-4-18(20)24-31(28,29)21-14-17(25(26)27)10-11-19(21)23-13-12-15-6-8-16(22)9-7-15/h2-11,14,23-24H,12-13H2,1H3