N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-3-oxidanyl-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-3-oxidanyl-benzamide Openeye Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-3-hydroxy-benzamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl]-3-hydroxybenzamide IUPAC Name: N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-3-hydroxybenzamide Traditional Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-3-hydroxy-benzamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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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(=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c20-9-10-21-19(25)17(22-18(24)15-7-4-8-16(23)11-15)13-28(26,27)12-14-5-2-1-3-6-14/h1-8,11,17,23H,10,12-13H2,(H,21,25)(H,22,24)