N-(2-methoxy-5-nitro-phenyl)-2-[methylsulfonyl-[3-(trifluoromethyl)phenyl]amino]ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[methylsulfonyl-[3-(trifluoromethyl)phenyl]amino]ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide Traditional Name: 2-[N-mesyl-3-(trifluoromethyl)anilino]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C17H16F3N3O6S MolecularWeight: 447.38565

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C17H16F3N3O6S/c1-29-15-7-6-13(23(25)26)9-14(15)21-16(24)10-22(30(2,27)28)12-5-3-4-11(8-12)17(18,19)20/h3-9H,10H2,1-2H3,(H,21,24)