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

Systemtic Name: [(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(1-piperidyl)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-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-piperidin-1-ylpropan-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-piperidino-ethyl] ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)OC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H28N2O7S/c1-15(20(24)22-10-3-2-4-11-22)29-19(23)8-9-21-30(25,26)16-6-7-17-18(14-16)28-13-5-12-27-17/h6-7,14-15,21H,2-5,8-13H2,1H3/t15-/m0/s1