cyanomethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: cyanomethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate Openeye Name: cyanomethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-phenyl-propionic acid cyanomethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)OCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC#N

InChI

InChI=1S/C19H18N2O6S/c20-8-9-27-19(22)16(12-14-4-2-1-3-5-14)21-28(23,24)15-6-7-17-18(13-15)26-11-10-25-17/h1-7,13,16,21H,9-12H2/t16-/m0/s1