N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-1-methylsulfonyl-propyl]benzamide CAS Name: N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxobutan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-2-methylsulfonyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-1-mesyl-propyl]benzamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC#N)(NC(=O)C1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC#N)(NC(=O)C1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C14H17N3O4S/c1-3-14(22(2,20)21,13(19)16-10-9-15)17-12(18)11-7-5-4-6-8-11/h4-8H,3,10H2,1-2H3,(H,16,19)(H,17,18)