N-[1-(cyanomethylamino)-3-[(2-iodanylphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-[(2-iodanylphenyl)methylsulfonyl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(2-iodophenyl)methylsulfonylmethyl]-2-oxo-ethyl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-[(2-iodophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-[(2-iodophenyl)methylsulfonyl]-1-oxopropan-2-yl]benzamide Traditional Name: N-[2-(cyanomethylamino)-1-[(2-iodobenzyl)sulfonylmethyl]-2-keto-ethyl]benzamide Formula: C19H18IN3O4S MolecularWeight: 511.33339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=CC=CC=C2I)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CS(=O)(=O)CC2=CC=CC=C2I)C(=O)NCC#N

InChI

InChI=1S/C19H18IN3O4S/c20-16-9-5-4-8-15(16)12-28(26,27)13-17(19(25)22-11-10-21)23-18(24)14-6-2-1-3-7-14/h1-9,17H,11-13H2,(H,22,25)(H,23,24)