N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-2-furamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H17N3O5S/c18-8-9-19-16(21)14(20-17(22)15-7-4-10-25-15)12-26(23,24)11-13-5-2-1-3-6-13/h1-7,10,14H,9,11-12H2,(H,19,21)(H,20,22)