methyl 3-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-3-phenyl-propanoate CAS Name: 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-oxohexyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-3-phenylpropanoate Traditional Name: 3-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoylamino]-3-phenyl-propionic acid methyl ester Formula: C24H30N2O7S MolecularWeight: 490.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O7S/c1-31-24(28)17-20(18-8-4-2-5-9-18)26-23(27)10-6-3-7-13-25-34(29,30)19-11-12-21-22(16-19)33-15-14-32-21/h2,4-5,8-9,11-12,16,20,25H,3,6-7,10,13-15,17H2,1H3,(H,26,27)