N-[1-(cyanomethylamino)-1-oxidanylidene-3-(pyridin-3-ylmethylsulfonyl)propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(pyridin-3-ylmethylsulfonyl)propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-2-oxo-1-(3-pyridylmethylsulfonylmethyl)ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(3-pyridinylmethylsulfonyl)propan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-1-oxo-3-(pyridin-3-ylmethylsulfonyl)propan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-2-keto-1-(3-pyridylmethylsulfonylmethyl)ethyl]benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c19-8-10-21-18(24)16(22-17(23)15-6-2-1-3-7-15)13-27(25,26)12-14-5-4-9-20-11-14/h1-7,9,11,16H,10,12-13H2,(H,21,24)(H,22,23)