(5-chloranyl-2-methoxy-phenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid (5-chloro-2-methoxy-benzyl) ester Formula: C21H24ClNO7S MolecularWeight: 469.93576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO7S/c1-13(2)20(21(24)30-12-14-10-15(22)4-6-17(14)27-3)23-31(25,26)16-5-7-18-19(11-16)29-9-8-28-18/h4-7,10-11,13,20,23H,8-9,12H2,1-3H3