N-tert-butyl-2-[(4-fluoranyl-3-nitro-phenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[(4-fluoranyl-3-nitro-phenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[(4-fluoro-3-nitro-phenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-tert-butyl-2-[(4-fluoro-3-nitrophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[(4-fluoro-3-nitrophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-tert-butyl-2-[(4-fluoro-3-nitro-phenyl)sulfonyl-methyl-amino]acetamide Formula: C13H18FN3O5S MolecularWeight: 347.362523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O5S/c1-13(2,3)15-12(18)8-16(4)23(21,22)9-5-6-10(14)11(7-9)17(19)20/h5-7H,8H2,1-4H3,(H,15,18)