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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(methylamino)-2-oxo-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-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 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-(methylamino)ethyl] ester Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S/c1-16-14(18)10-24-15(19)5-6-17-25(20,21)11-3-4-12-13(9-11)23-8-2-7-22-12/h3-4,9,17H,2,5-8,10H2,1H3,(H,16,18)