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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (4-bromo-2-chloro-phenyl) 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 (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 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 (4-bromo-2-chloro-phenyl) ester Formula: C19H19BrClNO6S MolecularWeight: 504.77926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=C(C=C(C=C1)Br)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)C(C(=O)OC1=C(C=C(C=C1)Br)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H19BrClNO6S/c1-11(2)18(19(23)28-15-5-3-12(20)9-14(15)21)22-29(24,25)13-4-6-16-17(10-13)27-8-7-26-16/h3-6,9-11,18,22H,7-8H2,1-2H3