2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[(4-fluoro-3-methyl-phenyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[(4-fluoro-3-methylphenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[(4-fluoro-3-methylphenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[(4-fluoro-3-methyl-benzyl)amino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC)F

InChI

InChI=1S/C21H20FN3O5S/c1-14-11-15(7-9-17(14)22)13-23-19-10-8-16(25(26)27)12-21(19)31(28,29)24-18-5-3-4-6-20(18)30-2/h3-12,23-24H,13H2,1-2H3