[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C25H33NO7S MolecularWeight: 491.59702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCNS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)CCCNS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H33NO7S/c1-16(24(28)25-13-17-9-18(14-25)11-19(10-17)15-25)33-23(27)3-2-6-26-34(29,30)20-4-5-21-22(12-20)32-8-7-31-21/h4-5,12,16-19,26H,2-3,6-11,13-15H2,1H3