2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-oxidanyl-propanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-hydroxy-propanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-hydroxypropanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-hydroxypropanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-hydroxy-propionic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(CO)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC(CO)C(=O)O)OC1

InChI

InChI=1S/C12H15NO7S/c14-7-9(12(15)16)13-21(17,18)8-2-3-10-11(6-8)20-5-1-4-19-10/h2-3,6,9,13-14H,1,4-5,7H2,(H,15,16)