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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-(isobutylamino)-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-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O7S/c1-13(2)11-19-17(21)12-27-18(22)4-3-7-20-28(23,24)14-5-6-15-16(10-14)26-9-8-25-15/h5-6,10,13,20H,3-4,7-9,11-12H2,1-2H3,(H,19,21)