[(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [(1S)-1-methyl-2-morpholino-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 [(2S)-1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 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 [(1S)-2-keto-1-methyl-2-morpholino-ethyl] ester Formula: C19H26N2O8S MolecularWeight: 442.48334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)N1CCOCC1)OC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H26N2O8S/c1-14(19(23)21-7-11-26-12-8-21)29-18(22)5-6-20-30(24,25)15-3-4-16-17(13-15)28-10-2-9-27-16/h3-4,13-14,20H,2,5-12H2,1H3/t14-/m0/s1