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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: (2-amino-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-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-1-phenyl-ethyl) ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H26N2O7S/c23-22(26)21(16-7-3-1-4-8-16)31-20(25)9-5-2-6-12-24-32(27,28)17-10-11-18-19(15-17)30-14-13-29-18/h1,3-4,7-8,10-11,15,21,24H,2,5-6,9,12-14H2,(H2,23,26)