2-acetamido-N-(4-fluoranyl-3-nitro-phenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-acetamido-N-(4-fluoranyl-3-nitro-phenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-acetamido-N-(4-fluoro-3-nitro-phenyl)-4-methylsulfonyl-butanamide CAS Name: 2-acetamido-N-(4-fluoro-3-nitrophenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-acetamido-N-(4-fluoro-3-nitrophenyl)-4-methylsulfonylbutanamide Traditional Name: 2-acetamido-N-(4-fluoro-3-nitro-phenyl)-4-mesyl-butyramide Formula: C13H16FN3O6S MolecularWeight: 361.346043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CCS(=O)(=O)C)C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16FN3O6S/c1-8(18)15-11(5-6-24(2,22)23)13(19)16-9-3-4-10(14)12(7-9)17(20)21/h3-4,7,11H,5-6H2,1-2H3,(H,15,18)(H,16,19)