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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (5-chloro-2-methoxy-benzyl) ester Formula: C22H26ClNO7S MolecularWeight: 483.96234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26ClNO7S/c1-28-19-8-6-17(23)13-16(19)15-31-22(25)5-3-2-4-10-24-32(26,27)18-7-9-20-21(14-18)30-12-11-29-20/h6-9,13-14,24H,2-5,10-12,15H2,1H3