4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)butanamide

Systemtic Name: 4-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methoxy-5-nitro-phenyl)butanamide Openeye Name: 4-(4-fluoro-N-methylsulfonyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butanamide CAS Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide IUPAC Name: 4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)butanamide Traditional Name: 4-(4-fluoro-N-mesyl-anilino)-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C18H20FN3O6S MolecularWeight: 425.431303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN3O6S/c1-28-17-10-9-15(22(24)25)12-16(17)20-18(23)4-3-11-21(29(2,26)27)14-7-5-13(19)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)