N-[1-(cyanomethylamino)-3-[(2-fluoranyl-6-nitro-phenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(2-fluoranyl-6-nitro-phenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(2-fluoro-6-nitro-phenyl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(2-fluoro-6-nitrophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(2-fluoro-6-nitrophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-[(2-fluoro-6-nitro-benzyl)sulfonylmethyl]-2-keto-ethyl]benzamide Formula: C19H17FN4O6S MolecularWeight: 448.424883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=C(C=CC=C2F)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=C(C=CC=C2F)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C19H17FN4O6S/c20-15-7-4-8-17(24(27)28)14(15)11-31(29,30)12-16(19(26)22-10-9-21)23-18(25)13-5-2-1-3-6-13/h1-8,16H,10-12H2,(H,22,26)(H,23,25)