N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]-piperonylamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CS(=O)(=O)CC3=CC=CC=C3)C(=O)NCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CS(=O)(=O)CC3=CC=CC=C3)C(=O)NCC#N

InChI

InChI=1S/C20H19N3O6S/c21-8-9-22-20(25)16(12-30(26,27)11-14-4-2-1-3-5-14)23-19(24)15-6-7-17-18(10-15)29-13-28-17/h1-7,10,16H,9,11-13H2,(H,22,25)(H,23,24)