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

Systemtic Name: 2-[(4-fluorophenyl)-methylsulfonyl-amino]-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-(4-fluoro-N-methylsulfonyl-anilino)-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-(4-fluoro-N-mesyl-anilino)-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C18H20FN3O5S/c1-4-17(21(28(3,26)27)14-9-6-13(19)7-10-14)18(23)20-16-11-15(22(24)25)8-5-12(16)2/h5-11,17H,4H2,1-3H3,(H,20,23)