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

Systemtic Name: N-[1-(cyanomethylamino)-3-(2-fluoranyl-3-methyl-phenyl)sulfonyl-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(2-fluoro-3-methyl-phenyl)sulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-(2-fluoro-3-methylphenyl)sulfonyl-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-(2-fluoro-3-methylphenyl)sulfonyl-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-[(2-fluoro-3-methyl-phenyl)sulfonylmethyl]-2-keto-ethyl]benzamide Formula: C19H18FN3O4S MolecularWeight: 403.427323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O4S/c1-13-6-5-9-16(17(13)20)28(26,27)12-15(19(25)22-11-10-21)23-18(24)14-7-3-2-4-8-14/h2-9,15H,11-12H2,1H3,(H,22,25)(H,23,24)