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

Systemtic Name: (3-chlorophenyl)methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (3-chlorophenyl)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 (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)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 (3-chlorobenzyl) ester Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=CC=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=CC=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22ClNO6S/c1-13(2)19(20(23)28-12-14-4-3-5-15(21)10-14)22-29(24,25)16-6-7-17-18(11-16)27-9-8-26-17/h3-7,10-11,13,19,22H,8-9,12H2,1-2H3/t19-/m0/s1