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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-(isopropylamino)-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 [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)NC(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H24N2O7S/c1-12(2)19-16(20)11-26-17(21)4-3-7-18-27(22,23)13-5-6-14-15(10-13)25-9-8-24-14/h5-6,10,12,18H,3-4,7-9,11H2,1-2H3,(H,19,20)