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

Systemtic Name: N-[1-(cyanomethylamino)-3-[(2-fluoranyl-3-methyl-phenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(2-fluoro-3-methyl-phenyl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(2-fluoro-3-methylphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(2-fluoro-3-methylphenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-[(2-fluoro-3-methyl-benzyl)sulfonylmethyl]-2-keto-ethyl]benzamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C(=CC=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C20H20FN3O4S/c1-14-6-5-9-16(18(14)21)12-29(27,28)13-17(20(26)23-11-10-22)24-19(25)15-7-3-2-4-8-15/h2-9,17H,11-13H2,1H3,(H,23,26)(H,24,25)