(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C23H27NO8S MolecularWeight: 477.52738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H27NO8S/c1-29-23(26)22(17-8-4-2-5-9-17)32-21(25)10-6-3-7-13-24-33(27,28)18-11-12-19-20(16-18)31-15-14-30-19/h2,4-5,8-9,11-12,16,22,24H,3,6-7,10,13-15H2,1H3