N-[1-(cyanomethylamino)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(3,5-dimethylisoxazol-4-yl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(3,5-dimethyl-4-isoxazolyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-[(3,5-dimethylisoxazol-4-yl)methylsulfonylmethyl]-2-keto-ethyl]benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NO1)C)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N4O5S/c1-12-15(13(2)27-22-12)10-28(25,26)11-16(18(24)20-9-8-19)21-17(23)14-6-4-3-5-7-14/h3-7,16H,9-11H2,1-2H3,(H,20,24)(H,21,23)