[(1R)-1-cyanoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@H](C#N)OC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H18N2O6S/c1-11(10-16)23-15(18)5-6-17-24(19,20)12-3-4-13-14(9-12)22-8-2-7-21-13/h3-4,9,11,17H,2,5-8H2,1H3/t11-/m1/s1