[2-oxidanylidene-2-(propylamino)ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-keto-2-(propylamino)ethyl] ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCNC(=O)COC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H24N2O7S/c1-2-7-18-16(20)12-26-17(21)6-8-19-27(22,23)13-4-5-14-15(11-13)25-10-3-9-24-14/h4-5,11,19H,2-3,6-10,12H2,1H3,(H,18,20)