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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)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-keto-2-(propargylamino)ethyl] ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C#CCNC(=O)COC(=O)CCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H20N2O7S/c1-2-7-18-16(20)12-26-17(21)4-3-8-19-27(22,23)13-5-6-14-15(11-13)25-10-9-24-14/h1,5-6,11,19H,3-4,7-10,12H2,(H,18,20)