(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H24N4O7S MolecularWeight: 488.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H24N4O7S/c27-21(33-15-26-22(28)17-6-3-4-7-18(17)24-25-26)8-2-1-5-11-23-34(29,30)16-9-10-19-20(14-16)32-13-12-31-19/h3-4,6-7,9-10,14,23H,1-2,5,8,11-13,15H2