N-[3-[(2-bromanyl-5-fluoranyl-phenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[3-[(2-bromanyl-5-fluoranyl-phenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[1-[(2-bromo-5-fluoro-phenyl)methylsulfonylmethyl]-2-(cyanomethylamino)-2-oxo-ethyl]benzamide CAS Name: N-[3-[(2-bromo-5-fluorophenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide IUPAC Name: N-[3-[(2-bromo-5-fluorophenyl)methylsulfonyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]benzamide Traditional Name: N-[1-[(2-bromo-5-fluoro-benzyl)sulfonylmethyl]-2-(cyanomethylamino)-2-keto-ethyl]benzamide Formula: C19H17BrFN3O4S MolecularWeight: 482.323383

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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(=C2)F)Br)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=C(C=CC(=C2)F)Br)C(=O)NCC#N

InChI

InChI=1S/C19H17BrFN3O4S/c20-16-7-6-15(21)10-14(16)11-29(27,28)12-17(19(26)23-9-8-22)24-18(25)13-4-2-1-3-5-13/h1-7,10,17H,9,11-12H2,(H,23,26)(H,24,25)