(2-cyanophenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (2-cyanophenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (2-cyanophenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid (2-cyanobenzyl) ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1C#N)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1C#N)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O6S/c1-14(2)20(21(24)29-13-16-6-4-3-5-15(16)12-22)23-30(25,26)17-7-8-18-19(11-17)28-10-9-27-18/h3-8,11,14,20,23H,9-10,13H2,1-2H3/t20-/m0/s1