cyanomethyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: cyanomethyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: cyanomethyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid cyanomethyl ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC#N)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@@H](C(=O)OCC#N)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H16N2O6S/c1-10(14(17)22-8-5-15)16-23(18,19)11-3-4-12-13(9-11)21-7-2-6-20-12/h3-4,9-10,16H,2,6-8H2,1H3/t10-/m0/s1