N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethyl)sulfonyl-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethyl)sulfonylpropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[3-benzylsulfonyl-1-(cyanomethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[1-(benzylsulfonylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]morpholine-4-carboxamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1COCCN1C(=O)NC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C17H22N4O5S/c18-6-7-19-16(22)15(20-17(23)21-8-10-26-11-9-21)13-27(24,25)12-14-4-2-1-3-5-14/h1-5,15H,7-13H2,(H,19,22)(H,20,23)